Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8pku_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N THR 285.A O no hydrogen 2.915 N/A ILE 4.A N TYR 21.A O no hydrogen 2.974 N/A TYR 5.A N ALA 283.A O no hydrogen 2.784 N/A TYR 5.A OH MET 286.A O no hydrogen 2.697 N/A THR 6.A N.A GLU 19.A O no hydrogen 2.817 N/A THR 6.A N.B GLU 19.A O no hydrogen 2.799 N/A ALA 7.A N GLY 281.A O no hydrogen 2.770 N/A GLY 8.A N TYR 17.A O no hydrogen 2.816 N/A GLY 9.A N ARG 38.A O no hydrogen 2.825 N/A TYR 10.A N SER 278.A O no hydrogen 2.770 N/A PHE 11.A N GLN 13.A O no hydrogen 3.007 N/A SER 14.A N ASN 58.A O no hydrogen 2.807 N/A SER 14.A OG SER 39.A OG no hydrogen 3.055 N/A SER 14.A OG ARG 56.A O no hydrogen 3.064 N/A LEU 15.A N GLY 9.A O no hydrogen 2.850 N/A GLU 19.A N THR 6.A O.A no hydrogen 3.086 N/A GLU 19.A N THR 6.A O.B no hydrogen 3.020 N/A ALA 20.A N LEU 29.A O.A no hydrogen 3.010 N/A ALA 20.A N LEU 29.A O.B no hydrogen 2.991 N/A TYR 21.A N ILE 4.A O no hydrogen 2.804 N/A ASN 22.A N THR 27.A O no hydrogen 2.979 N/A SER 24.A N ASN 22.A OD1 no hydrogen 2.836 N/A ASP 25.A N ASN 22.A OD1 no hydrogen 3.043 N/A GLY 26.A N ASN 22.A O no hydrogen 2.772 N/A THR 27.A N ASP 25.A OD1 no hydrogen 2.965 N/A THR 27.A OG1 ASP 25.A OD1 no hydrogen 2.692 N/A LEU 29.A N.A ALA 20.A O no hydrogen 2.875 N/A LEU 29.A N.B ALA 20.A O no hydrogen 2.866 N/A ARG 30.A NH2 ASP 33.A OD1 no hydrogen 3.116 N/A LEU 31.A N LEU 18.A O no hydrogen 2.927 N/A ALA 32.A N ASN 77.A OD1 no hydrogen 3.127 N/A LEU 34.A N SER 16.A O no hydrogen 2.914 N/A ARG 38.A N LEU 15.A O no hydrogen 2.983 N/A ARG 38.A NE GLY 54.A O no hydrogen 3.084 N/A ARG 38.A NH2 ALA 52.A O no hydrogen 3.111 N/A ARG 38.A NH2 GLY 54.A O no hydrogen 2.966 N/A SER 39.A N ARG 56.A O no hydrogen 2.921 N/A SER 39.A OG SER 14.A OG no hydrogen 3.055 N/A GLY 40.A N GLY 279.A O no hydrogen 2.855 N/A ALA 42.A N VAL 53.A O no hydrogen 3.024 N/A CYS 44.A N TYR 51.A O no hydrogen 3.160 N/A VAL 46.A N LEU 49.A O no hydrogen 3.045 N/A LEU 49.A N VAL 46.A O no hydrogen 3.038 N/A LEU 50.A N TYR 72.A O no hydrogen 3.021 N/A TYR 51.A N CYS 44.A O no hydrogen 2.791 N/A ALA 52.A N ASP 70.A O no hydrogen 2.801 N/A VAL 53.A N ALA 42.A O no hydrogen 2.921 N/A GLY 54.A N ALA 68.A O no hydrogen 2.940 N/A GLY 55.A N ARG 89.A O no hydrogen 2.902 N/A ARG 56.A N SER 39.A O no hydrogen 2.790 N/A ARG 56.A NE ASN 58.A OD1 no hydrogen 2.862 N/A ARG 56.A NH1 ASP 65.A OD1 no hydrogen 2.527 N/A ASN 57.A N THR 64.A O no hydrogen 2.772 N/A ASN 58.A N SER 14.A OG no hydrogen 2.780 N/A ASN 58.A ND2 SER 14.A OG no hydrogen 3.241 N/A ASN 58.A ND2 SER 39.A OG no hydrogen 3.327 N/A SER 59.A N.A GLY 62.A O no hydrogen 3.177 N/A SER 59.A N.B GLY 62.A O no hydrogen 3.175 N/A SER 59.A OG.A ASN 57.A OD1 no hydrogen 2.801 N/A SER 59.A OG.B GLY 62.A O no hydrogen 2.691 N/A GLY 62.A N SER 59.A O.A no hydrogen 2.906 N/A GLY 62.A N SER 59.A O.B no hydrogen 3.094 N/A THR 64.A N ASN 57.A O no hydrogen 3.014 N/A SER 66.A N GLY 55.A O no hydrogen 2.814 N/A ALA 68.A N SER 66.A OG no hydrogen 2.995 N/A ASP 70.A N ALA 52.A O no hydrogen 3.038 N/A CYS 71.A N.A SER 80.A O no hydrogen 2.836 N/A CYS 71.A N.B SER 80.A O no hydrogen 2.872 N/A CYS 71.A SG.A LEU 50.A O no hydrogen 4.036 N/A CYS 71.A SG.B SER 80.A O no hydrogen 3.590 N/A CYS 71.A SG.B SER 80.A OG no hydrogen 3.384 N/A TYR 72.A N LEU 50.A O no hydrogen 2.618 N/A TYR 72.A OH ASN 77.A OD1 no hydrogen 2.595 N/A ASN 73.A N GLN 78.A O no hydrogen 3.087 N/A MET 75.A N.A ASN 73.A OD1 no hydrogen 2.942 N/A MET 75.A N.B ASN 73.A OD1 no hydrogen 2.951 N/A THR 76.A N ASN 73.A O no hydrogen 3.108 N/A THR 76.A OG1 ASN 73.A O no hydrogen 3.361 N/A ASN 77.A N ASN 73.A O no hydrogen 2.807 N/A TRP 79.A NE1 ALA 32.A O no hydrogen 2.983 N/A SER 80.A N CYS 71.A O.A no hydrogen 2.846 N/A SER 80.A N CYS 71.A O.B no hydrogen 2.856 N/A CYS 82.A N LEU 69.A O no hydrogen 2.850 N/A CYS 82.A SG TYR 119.A OH no hydrogen 3.768 N/A ALA 83.A N ASP 124.A OD1 no hydrogen 2.972 N/A MET 85.A N SER 67.A O no hydrogen 2.864 N/A SER 86.A N GLU 117.A OE1 no hydrogen 2.892 N/A SER 86.A N GLU 117.A OE2 no hydrogen 3.292 N/A SER 86.A OG GLU 117.A OE1 no hydrogen 3.359 N/A SER 86.A OG GLU 117.A OE2 no hydrogen 2.824 N/A ARG 89.A N SER 66.A O no hydrogen 3.008 N/A ARG 89.A NE GLU 117.A OE2 no hydrogen 3.165 N/A ARG 89.A NH1 GLY 105.A O no hydrogen 2.891 N/A ARG 89.A NH1 SER 115.A O no hydrogen 2.982 N/A ARG 89.A NH1 SER 115.A OG no hydrogen 3.254 N/A ARG 89.A NH2 SER 115.A OG no hydrogen 2.823 N/A ARG 89.A NH2 GLU 117.A OE2 no hydrogen 2.839 N/A ASN 90.A N SER 107.A O no hydrogen 2.802 N/A ARG 91.A N GLY 40.A O no hydrogen 2.890 N/A ILE 92.A N GLY 40.A O no hydrogen 3.438 N/A GLY 93.A N VAL 104.A O no hydrogen 3.223 N/A GLY 95.A N TYR 102.A O no hydrogen 3.145 N/A ILE 97.A N HIS 100.A O no hydrogen 2.988 N/A HIS 100.A N ILE 97.A O no hydrogen 2.904 N/A ILE 101.A N TYR 119.A O no hydrogen 3.028 N/A TYR 102.A N GLY 95.A O no hydrogen 2.781 N/A ALA 103.A N GLU 117.A O no hydrogen 2.770 N/A VAL 104.A N GLY 93.A O no hydrogen 2.881 N/A GLY 105.A N SER 115.A O no hydrogen 3.178 N/A GLY 106.A N ARG 136.A O no hydrogen 2.938 N/A SER 107.A N ASN 90.A O no hydrogen 2.753 N/A HIS 108.A N ILE 111.A O no hydrogen 2.869 N/A GLY 109.A N ASP 65.A OD2 no hydrogen 2.693 N/A ILE 111.A N HIS 108.A O no hydrogen 2.883 N/A HIS 112.A ND1 CYS 110.A O.A no hydrogen 2.912 N/A HIS 113.A N GLY 106.A O no hydrogen 2.897 N/A HIS 113.A NE2 PRO 88.A O no hydrogen 2.838 N/A GLU 117.A N ALA 103.A O no hydrogen 3.061 N/A ARG 118.A N HIS 127.A O no hydrogen 2.835 N/A TYR 119.A N ILE 101.A O no hydrogen 2.699 N/A TYR 119.A OH ASP 124.A OD1 no hydrogen 2.571 N/A GLU 120.A N GLU 125.A O no hydrogen 2.909 N/A GLU 122.A N.A GLU 122.A OE1.A no hydrogen 2.781 N/A ARG 123.A N GLU 120.A O no hydrogen 3.104 N/A ARG 123.A NE GLU 125.A OE1 no hydrogen 3.497 N/A ASP 124.A N PRO 121.A O no hydrogen 3.370 N/A GLU 125.A N GLU 120.A O no hydrogen 3.497 N/A TRP 126.A NE1 ALA 83.A O no hydrogen 2.879 N/A HIS 127.A N ARG 118.A O no hydrogen 2.926 N/A HIS 127.A NE2 GLU 125.A OE1 no hydrogen 2.917 N/A VAL 129.A N VAL 116.A O no hydrogen 2.930 N/A ALA 130.A N ASN 171.A OD1 no hydrogen 2.995 N/A MET 132.A N ASN 114.A O no hydrogen 2.744 N/A LEU 133.A N GLU 164.A OE1 no hydrogen 2.816 N/A THR 134.A OG1 GLU 164.A OE2 no hydrogen 3.033 N/A ARG 135.A NH1 HIS 112.A O no hydrogen 2.802 N/A ARG 136.A N HIS 113.A O no hydrogen 3.086 N/A ARG 136.A NE GLU 164.A OE2 no hydrogen 3.095 N/A ARG 136.A NH1 GLY 152.A O no hydrogen 2.857 N/A ARG 136.A NH1 SER 162.A O no hydrogen 3.081 N/A ARG 136.A NH1 SER 162.A OG no hydrogen 3.225 N/A ARG 136.A NH2 SER 162.A OG no hydrogen 2.900 N/A ARG 136.A NH2 GLU 164.A OE2 no hydrogen 2.895 N/A ILE 137.A N PHE 154.A O no hydrogen 2.902 N/A GLY 138.A N ARG 91.A O no hydrogen 2.902 N/A GLY 140.A N VAL 151.A O no hydrogen 3.015 N/A ALA 142.A N TYR 149.A O no hydrogen 3.095 N/A LEU 144.A N LEU 147.A O no hydrogen 3.008 N/A ARG 146.A NE.B ASP 98.A OD2 no hydrogen 3.240 N/A ARG 146.A NH2.B ASP 98.A OD2 no hydrogen 3.155 N/A LEU 147.A N LEU 144.A O no hydrogen 3.011 N/A LEU 148.A N TYR 166.A O no hydrogen 3.284 N/A TYR 149.A N ALA 142.A O no hydrogen 2.855 N/A ALA 150.A N GLU 164.A O no hydrogen 2.907 N/A VAL 151.A N GLY 140.A O no hydrogen 2.756 N/A GLY 152.A N SER 162.A O no hydrogen 2.923 N/A GLY 153.A N ARG 183.A O no hydrogen 2.878 N/A PHE 154.A N ILE 137.A O no hydrogen 2.792 N/A ASP 155.A N ASN 158.A O no hydrogen 2.960 N/A THR 157.A N ASP 155.A OD1 no hydrogen 2.695 N/A ASN 158.A N ASP 155.A OD1 no hydrogen 2.644 N/A ARG 159.A NE SER 184.A OG.A no hydrogen 3.078 N/A LEU 160.A N GLY 153.A O no hydrogen 2.927 N/A GLU 164.A N ALA 150.A O no hydrogen 2.997 N/A CYS 165.A N ARG 174.A O no hydrogen 2.755 N/A CYS 165.A SG LEU 148.A O no hydrogen 4.014 N/A TYR 166.A N LEU 148.A O no hydrogen 2.652 N/A TYR 166.A OH ASN 171.A OD1 no hydrogen 2.590 N/A TYR 167.A N GLU 172.A O no hydrogen 2.958 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.664 N/A ARG 170.A N TYR 167.A O no hydrogen 3.094 N/A ASN 171.A N PRO 168.A O no hydrogen 3.382 N/A TRP 173.A NE1 ALA 130.A O no hydrogen 2.889 N/A ARG 174.A N CYS 165.A O no hydrogen 2.859 N/A ILE 176.A N ALA 163.A O no hydrogen 2.940 N/A THR 177.A OG1 ALA 218.A O no hydrogen 2.939 N/A MET 179.A N ASN 161.A O no hydrogen 2.847 N/A ASN 180.A N GLU 211.A OE1 no hydrogen 2.809 N/A ASN 180.A ND2 GLU 211.A OE1 no hydrogen 2.866 N/A ASN 180.A ND2 TRP 220.A O no hydrogen 3.160 N/A THR 181.A N GLU 211.A OE2 no hydrogen 3.195 N/A THR 181.A OG1 GLU 211.A OE2 no hydrogen 3.530 N/A ARG 183.A N LEU 160.A O no hydrogen 3.036 N/A ARG 183.A NE GLU 211.A OE2 no hydrogen 3.219 N/A ARG 183.A NH1 GLY 199.A O no hydrogen 2.974 N/A ARG 183.A NH1 SER 209.A O no hydrogen 2.973 N/A ARG 183.A NH1 SER 209.A OG no hydrogen 3.392 N/A ARG 183.A NH2 SER 209.A OG no hydrogen 2.929 N/A ARG 183.A NH2 GLU 211.A OE2 no hydrogen 2.833 N/A SER 184.A N TYR 201.A O no hydrogen 2.844 N/A SER 184.A OG.A TYR 201.A O no hydrogen 3.342 N/A SER 184.A OG.B ILE 137.A O no hydrogen 3.547 N/A GLY 185.A N GLY 138.A O no hydrogen 2.949 N/A GLY 187.A N ALA 198.A O no hydrogen 2.904 N/A CYS 189.A N TYR 196.A O no hydrogen 3.097 N/A LEU 191.A N CYS 194.A O no hydrogen 2.890 N/A CYS 194.A N LEU 191.A O no hydrogen 3.041 N/A ILE 195.A N TYR 213.A O no hydrogen 3.221 N/A TYR 196.A N CYS 189.A O no hydrogen 2.782 N/A ALA 197.A N GLU 211.A O no hydrogen 2.802 N/A ALA 198.A N GLY 187.A O no hydrogen 2.806 N/A GLY 199.A N SER 209.A O no hydrogen 3.001 N/A GLY 200.A N ARG 230.A O no hydrogen 2.835 N/A TYR 201.A N SER 184.A O no hydrogen 2.756 N/A ASP 202.A N ASP 205.A O no hydrogen 3.198 N/A GLN 204.A N ASP 202.A OD1 no hydrogen 2.799 N/A ASP 205.A N ASP 202.A OD1 no hydrogen 2.770 N/A LEU 207.A N GLY 200.A O no hydrogen 2.882 N/A GLU 211.A N ALA 197.A O no hydrogen 2.962 N/A ARG 212.A N THR 221.A O no hydrogen 2.815 N/A ARG 212.A NH1 TYR 196.A OH no hydrogen 3.286 N/A TYR 213.A N ILE 195.A O no hydrogen 2.658 N/A ASP 214.A N THR 219.A O no hydrogen 3.019 N/A ALA 216.A N ASP 214.A OD1 no hydrogen 3.087 N/A THR 217.A N ASP 214.A O no hydrogen 3.205 N/A THR 217.A OG1 ASP 214.A O no hydrogen 3.440 N/A THR 219.A OG1 THR 217.A O no hydrogen 2.977 N/A TRP 220.A NE1 THR 177.A O no hydrogen 2.858 N/A THR 221.A N ARG 212.A O no hydrogen 2.845 N/A VAL 223.A N VAL 210.A O no hydrogen 2.850 N/A ALA 224.A N ASP 265.A OD1 no hydrogen 3.031 N/A MET 226.A N ASN 208.A O no hydrogen 2.810 N/A LYS 227.A N GLU 258.A OE1 no hydrogen 2.717 N/A HIS 228.A N.A GLU 258.A OE2 no hydrogen 3.055 N/A HIS 228.A N.B GLU 258.A OE2 no hydrogen 3.034 N/A HIS 228.A NE2.B ASP 249.A OD2 no hydrogen 2.566 N/A ARG 229.A NH1 GLN 206.A O no hydrogen 2.820 N/A ARG 230.A N LEU 207.A O no hydrogen 3.047 N/A ARG 230.A NE HIS 228.A O.A no hydrogen 3.262 N/A ARG 230.A NE HIS 228.A O.B no hydrogen 3.388 N/A ARG 230.A NH1 GLY 246.A O no hydrogen 2.885 N/A ARG 230.A NH1 SER 256.A O no hydrogen 2.992 N/A ARG 230.A NH2 SER 256.A OG no hydrogen 2.987 N/A ARG 230.A NH2 GLU 258.A OE2 no hydrogen 2.766 N/A SER 231.A N.A TYR 248.A O no hydrogen 2.867 N/A SER 231.A N.B TYR 248.A O no hydrogen 2.872 N/A SER 231.A OG.A SER 184.A O no hydrogen 3.320 N/A SER 231.A OG.B TYR 248.A O no hydrogen 3.324 N/A ALA 232.A N GLY 185.A O no hydrogen 2.790 N/A GLY 234.A N LEU 245.A O no hydrogen 3.005 N/A THR 236.A N TYR 243.A O no hydrogen 2.975 N/A HIS 238.A N ARG 241.A O no hydrogen 2.930 N/A HIS 238.A NE2 ARG 2.A O no hydrogen 3.143 N/A ARG 241.A N HIS 238.A O no hydrogen 3.068 N/A ILE 242.A N TYR 260.A O no hydrogen 3.198 N/A TYR 243.A N THR 236.A O no hydrogen 2.829 N/A VAL 244.A N GLU 258.A O no hydrogen 2.891 N/A LEU 245.A N GLY 234.A O no hydrogen 2.795 N/A GLY 246.A N SER 256.A O no hydrogen 2.979 N/A GLY 247.A N ARG 277.A O no hydrogen 2.919 N/A TYR 248.A N SER 231.A O.A no hydrogen 2.813 N/A TYR 248.A N SER 231.A O.B no hydrogen 2.816 N/A ASP 249.A N THR 252.A O no hydrogen 3.333 N/A HIS 251.A N ASP 249.A OD1 no hydrogen 2.920 N/A THR 252.A N ASP 249.A OD1 no hydrogen 2.801 N/A LEU 254.A N GLY 247.A O no hydrogen 2.816 N/A SER 256.A OG GLU 269.A OE1 no hydrogen 2.725 N/A VAL 257.A N THR 271.A O no hydrogen 3.132 N/A GLU 258.A N VAL 244.A O no hydrogen 3.022 N/A CYS 259.A N SER 268.A O no hydrogen 2.636 N/A CYS 259.A SG ILE 242.A O no hydrogen 3.736 N/A TYR 260.A N ILE 242.A O no hydrogen 2.772 N/A TYR 260.A OH ASP 265.A OD1 no hydrogen 2.564 N/A ASP 261.A N THR 266.A O.A no hydrogen 2.995 N/A ASP 261.A N THR 266.A O.B no hydrogen 2.959 N/A ASP 263.A N ASP 261.A OD1 no hydrogen 3.184 N/A THR 264.A OG1 ASP 261.A O no hydrogen 3.556 N/A THR 264.A OG1 ASP 261.A OD2 no hydrogen 2.971 N/A THR 264.A OG1 THR 266.A OG1.A no hydrogen 2.543 N/A THR 266.A N.A ASP 261.A O no hydrogen 3.420 N/A THR 266.A N.B ASP 261.A O no hydrogen 3.408 N/A THR 266.A OG1.A THR 264.A OG1 no hydrogen 2.543 N/A THR 266.A OG1.B TRP 267.A O no hydrogen 3.538 N/A TRP 267.A NE1 ALA 224.A O no hydrogen 2.873 N/A SER 268.A N CYS 259.A O no hydrogen 2.902 N/A VAL 270.A N VAL 257.A O no hydrogen 2.966 N/A THR 271.A OG1 ARG 272.A O.A no hydrogen 3.372 N/A ARG 272.A NE.B ASP 255.A OD2 no hydrogen 2.870 N/A ARG 272.A NH1.B ASP 255.A OD2 no hydrogen 2.819 N/A ARG 272.A NH2.A ASP 255.A OD1 no hydrogen 3.005 N/A MET 273.A N ASP 255.A O no hydrogen 2.809 N/A THR 274.A OG1 GLU 19.A OE1 no hydrogen 2.719 N/A THR 274.A OG1 GLU 19.A OE2 no hydrogen 3.325 N/A ARG 277.A N LEU 254.A O no hydrogen 3.097 N/A ARG 277.A NE SER 275.A O no hydrogen 3.070 N/A ARG 277.A NH1 GLU 19.A OE2 no hydrogen 2.736 N/A ARG 277.A NH2 GLU 19.A OE2 no hydrogen 2.871 N/A ARG 277.A NH2 THR 274.A OG1 no hydrogen 3.259 N/A ARG 277.A NH2 SER 275.A O no hydrogen 3.333 N/A ARG 277.A NH2 SER 275.A OG no hydrogen 3.077 N/A SER 278.A N TYR 10.A O no hydrogen 3.074 N/A GLY 279.A N ALA 232.A O no hydrogen 2.810 N/A GLY 281.A N ALA 7.A O no hydrogen 2.967 N/A ALA 283.A N TYR 5.A O no hydrogen 3.060 N/A THR 285.A N LEU 3.A O no hydrogen 3.368 N/A THR 285.A OG1 GLY 48.A O no hydrogen 2.987 N/A MET 286.A N THR 285.A OG1 no hydrogen 2.724 N/A GLU 287.A N GLY 1.A O no hydrogen 2.984 N/A SER 289.A N PRO 74.A O no hydrogen 3.079 N/A