Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pnu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N PRO 60.A O no hydrogen 3.441 N/A LYS 2.A N GLU 59.A O no hydrogen 3.057 N/A PHE 3.A N VAL 85.A O no hydrogen 3.000 N/A VAL 5.A N ILE 83.A O no hydrogen 3.097 N/A ARG 7.A N ALA 81.A O no hydrogen 2.754 N/A ARG 7.A NE CYS 74.A O no hydrogen 2.935 N/A ARG 7.A NH1 GLU 8.A OE2 no hydrogen 3.299 N/A ARG 7.A NH2 ARG 75.A O no hydrogen 2.866 N/A HIS 9.A N GLU 6.A O.A no hydrogen 2.978 N/A HIS 9.A N GLU 6.A O.B no hydrogen 2.975 N/A LEU 10.A N ARG 7.A O no hydrogen 3.095 N/A LEU 11.A N ARG 7.A O no hydrogen 3.040 N/A LEU 14.A N LEU 10.A O no hydrogen 2.915 N/A GLN 15.A N LEU 11.A O no hydrogen 2.897 N/A GLN 16.A N LYS 12.A O no hydrogen 2.848 N/A GLN 16.A NE2 ARG 200.A O no hydrogen 2.914 N/A VAL 17.A N PRO 13.A O no hydrogen 2.988 N/A SER 18.A N LEU 14.A O no hydrogen 2.808 N/A SER 18.A OG LEU 14.A O no hydrogen 2.617 N/A GLY 19.A N GLN 15.A O no hydrogen 3.005 N/A LEU 21.A N SER 18.A O no hydrogen 2.954 N/A LEU 25.A N LEU 22.A O no hydrogen 3.201 N/A GLY 26.A N PRO 23.A O no hydrogen 2.797 N/A ASN 27.A N ILE 24.A O no hydrogen 3.106 N/A ASN 27.A ND2 THR 64.A OG1 no hydrogen 3.073 N/A LEU 28.A N VAL 65.A O no hydrogen 2.788 N/A LEU 29.A N THR 40.A O no hydrogen 2.983 N/A LEU 30.A N THR 63.A O no hydrogen 2.804 N/A GLN 31.A N SER 38.A O no hydrogen 2.993 N/A VAL 32.A N GLY 61.A O no hydrogen 2.826 N/A ALA 33.A N THR 36.A O no hydrogen 2.940 N/A THR 36.A N ALA 33.A O no hydrogen 2.853 N/A LEU 37.A N VAL 52.A O no hydrogen 2.879 N/A SER 38.A N GLN 31.A O no hydrogen 2.801 N/A LEU 39.A N ALA 50.A O no hydrogen 2.824 N/A THR 40.A N LEU 29.A O no hydrogen 2.925 N/A GLY 41.A N MET 48.A O no hydrogen 2.995 N/A THR 42.A OG1 MET 46.A O no hydrogen 2.873 N/A ASP 43.A N MET 46.A O no hydrogen 3.245 N/A LEU 44.A N THR 42.A OG1 no hydrogen 3.005 N/A GLU 45.A N ASP 43.A OD1 no hydrogen 2.768 N/A MET 46.A N ASP 43.A OD1 no hydrogen 2.908 N/A GLU 47.A N THR 228.A O no hydrogen 2.705 N/A MET 48.A N GLY 41.A O no hydrogen 2.931 N/A VAL 49.A N ILE 226.A O no hydrogen 2.836 N/A ALA 50.A N LEU 39.A O no hydrogen 2.778 N/A ARG 51.A N ASP 224.A O no hydrogen 2.928 N/A ARG 51.A NH1 ASP 224.A OD1 no hydrogen 3.203 N/A VAL 52.A N LEU 37.A O no hydrogen 2.857 N/A LEU 54.A N GLY 35.A O no hydrogen 2.994 N/A GLN 56.A NE2 GLU 82.A OE2 no hydrogen 2.957 N/A HIS 58.A ND1 GLN 56.A O no hydrogen 2.810 N/A GLU 59.A N LYS 2.A O no hydrogen 2.891 N/A GLY 61.A N VAL 32.A O no hydrogen 3.105 N/A THR 63.A N LEU 30.A O no hydrogen 2.991 N/A THR 64.A N LEU 106.A O no hydrogen 3.169 N/A THR 64.A OG1 LEU 106.A O no hydrogen 2.682 N/A VAL 65.A N LEU 28.A O no hydrogen 2.998 N/A ALA 67.A N GLY 26.A O no hydrogen 2.969 N/A ARG 68.A NH1 SER 18.A O no hydrogen 3.041 N/A PHE 70.A N PRO 66.A O no hydrogen 3.052 N/A PHE 71.A N ALA 67.A O no hydrogen 2.896 N/A ASP 72.A N ARG 68.A O no hydrogen 2.764 N/A ILE 73.A N LYS 69.A O no hydrogen 2.930 N/A CYS 74.A N PHE 70.A O no hydrogen 3.062 N/A CYS 74.A SG PHE 70.A O no hydrogen 3.418 N/A ARG 75.A N PHE 71.A O no hydrogen 2.864 N/A GLY 76.A N ASP 72.A O no hydrogen 2.902 N/A LEU 77.A N ILE 73.A O no hydrogen 3.224 N/A LEU 77.A N CYS 74.A O no hydrogen 3.291 N/A GLY 80.A N GLU 8.A OE2 no hydrogen 3.065 N/A ALA 81.A N PRO 78.A O no hydrogen 3.091 N/A ILE 83.A N VAL 5.A O no hydrogen 2.757 N/A ALA 84.A N ARG 95.A O no hydrogen 2.765 N/A VAL 85.A N PHE 3.A O no hydrogen 2.769 N/A GLN 86.A N LEU 93.A O no hydrogen 2.954 N/A LEU 87.A N MET 1.A O no hydrogen 3.061 N/A GLU 88.A N ARG 91.A O no hydrogen 2.820 N/A ARG 91.A N GLU 88.A O no hydrogen 3.207 N/A MET 92.A N LEU 103.A O no hydrogen 2.861 N/A LEU 93.A N GLN 86.A O no hydrogen 2.824 N/A VAL 94.A N PHE 101.A O no hydrogen 2.876 N/A ARG 95.A N ALA 84.A O no hydrogen 2.726 N/A SER 96.A N SER 99.A O no hydrogen 2.943 N/A SER 96.A OG GLU 82.A O no hydrogen 2.668 N/A SER 99.A N SER 96.A O no hydrogen 2.774 N/A PHE 101.A N VAL 94.A O no hydrogen 2.851 N/A LEU 103.A N MET 92.A O no hydrogen 2.893 N/A THR 105.A OG1 GLU 90.A O no hydrogen 2.511 N/A LEU 106.A N THR 64.A O no hydrogen 3.156 N/A ASP 110.A N PRO 107.A O no hydrogen 2.997 N/A PHE 111.A N ALA 108.A O no hydrogen 3.007 N/A TRP 117.A N ASP 116.A OD1 no hydrogen 3.116 N/A SER 119.A OG GLU 122.A OE2 no hydrogen 2.691 N/A GLU 120.A N ILE 213.A O no hydrogen 2.801 N/A VAL 121.A N ILE 213.A O no hydrogen 2.942 N/A PHE 123.A N VAL 211.A O no hydrogen 3.120 N/A THR 124.A N GLN 181.A OE1 no hydrogen 3.146 N/A LEU 125.A N LEU 209.A O no hydrogen 2.991 N/A GLN 127.A NE2 ASP 203.A OD1 no hydrogen 3.339 N/A GLN 127.A NE2 ASN 207.A O no hydrogen 2.795 N/A THR 129.A N PRO 126.A O no hydrogen 3.019 N/A MET 130.A N PRO 126.A O no hydrogen 3.318 N/A LYS 131.A N GLN 127.A O no hydrogen 2.937 N/A LYS 131.A NZ GLU 135.A OE1.A no hydrogen 3.526 N/A LYS 131.A NZ GLU 135.A OE1.B no hydrogen 3.248 N/A LYS 131.A NZ GLU 135.A OE2.A no hydrogen 2.736 N/A ARG 132.A N ALA 128.A O no hydrogen 3.044 N/A LEU 133.A N THR 129.A O no hydrogen 2.926 N/A ILE 134.A N MET 130.A O no hydrogen 2.961 N/A GLU 135.A N LYS 131.A O no hydrogen 2.832 N/A ALA 136.A N ARG 132.A O no hydrogen 2.944 N/A THR 137.A N ILE 134.A O no hydrogen 3.143 N/A THR 137.A OG1 LEU 133.A O no hydrogen 3.074 N/A THR 137.A OG1 ILE 134.A O no hydrogen 3.477 N/A GLN 138.A N ILE 134.A O no hydrogen 2.841 N/A SER 140.A N THR 137.A O no hydrogen 2.923 N/A MET 141.A N GLN 138.A O no hydrogen 3.206 N/A ALA 142.A N LEU 150.A O no hydrogen 2.938 N/A ASP 145.A N ASN 151.A OD1 no hydrogen 2.914 N/A ARG 147.A N ASP 145.A OD1 no hydrogen 2.833 N/A ARG 147.A NE ASP 145.A OD1 no hydrogen 2.806 N/A ARG 147.A NH2 ASP 145.A OD1 no hydrogen 3.499 N/A ARG 147.A NH2 ASP 145.A OD2 no hydrogen 2.951 N/A LEU 150.A N ARG 147.A O no hydrogen 2.999 N/A ASN 151.A N TYR 148.A O no hydrogen 3.116 N/A ASN 151.A ND2 ASP 145.A O no hydrogen 2.791 N/A MET 153.A N VAL 190.A O no hydrogen 2.883 N/A LEU 154.A N VAL 165.A O no hydrogen 2.835 N/A PHE 155.A N VAL 188.A O no hydrogen 2.861 N/A GLU 156.A N ARG 163.A O no hydrogen 2.805 N/A THR 157.A N HIS 186.A O no hydrogen 2.737 N/A THR 157.A OG1 PRO 184.A O no hydrogen 2.626 N/A THR 157.A OG1 HIS 186.A O no hydrogen 3.287 N/A GLU 158.A N GLU 161.A O no hydrogen 3.057 N/A GLU 161.A N GLU 158.A O no hydrogen 2.838 N/A LEU 162.A N MET 177.A O no hydrogen 2.945 N/A ARG 163.A N GLU 156.A O no hydrogen 2.785 N/A ARG 163.A NE SER 176.A OG no hydrogen 2.796 N/A ARG 163.A NH1 GLU 156.A OE1 no hydrogen 3.072 N/A ARG 163.A NH1 GLU 158.A OE1 no hydrogen 3.029 N/A ARG 163.A NH2 GLU 158.A OE1 no hydrogen 3.267 N/A ARG 163.A NH2 GLU 161.A OE1 no hydrogen 3.232 N/A THR 164.A N CYS 175.A O no hydrogen 2.786 N/A THR 164.A OG1 LEU 133.A O no hydrogen 2.771 N/A VAL 165.A N LEU 154.A O no hydrogen 3.011 N/A ALA 166.A N ALA 173.A O no hydrogen 2.894 N/A THR 167.A OG1 ARG 171.A O no hydrogen 2.771 N/A ASP 168.A N ARG 171.A O no hydrogen 3.313 N/A GLY 169.A N THR 167.A OG1 no hydrogen 3.330 N/A HIS 170.A N ASP 168.A OD1 no hydrogen 2.928 N/A ARG 171.A N ASP 168.A OD1 no hydrogen 3.060 N/A ARG 171.A NE ASP 168.A OD2 no hydrogen 2.808 N/A ARG 171.A NH1 ASP 321.A OD2 no hydrogen 2.778 N/A LEU 172.A N VAL 355.A O no hydrogen 2.773 N/A ALA 173.A N ALA 166.A O no hydrogen 2.840 N/A VAL 174.A N ALA 353.A O no hydrogen 2.935 N/A CYS 175.A N THR 164.A O no hydrogen 2.947 N/A CYS 175.A SG SER 351.A O no hydrogen 3.595 N/A SER 176.A N SER 351.A O no hydrogen 3.068 N/A MET 177.A N LEU 162.A O no hydrogen 2.876 N/A ILE 179.A N GLU 160.A O no hydrogen 2.826 N/A GLN 181.A NE2 THR 124.A O no hydrogen 2.497 N/A GLN 181.A NE2 ILE 179.A O no hydrogen 3.342 N/A LEU 183.A N GLY 159.A O no hydrogen 2.795 N/A HIS 186.A N THR 157.A O no hydrogen 3.045 N/A VAL 188.A N PHE 155.A O no hydrogen 3.019 N/A VAL 190.A N MET 153.A O no hydrogen 2.893 N/A ARG 192.A N ASN 151.A O no hydrogen 3.127 N/A ARG 192.A NH1 ALA 142.A O no hydrogen 2.802 N/A VAL 195.A N PRO 191.A O no hydrogen 3.019 N/A ILE 196.A N ARG 192.A O no hydrogen 3.064 N/A GLU 197.A N.A LYS 193.A O no hydrogen 3.144 N/A GLU 197.A N.B LYS 193.A O no hydrogen 3.153 N/A LEU 198.A N GLY 194.A O no hydrogen 2.887 N/A MET 199.A N VAL 195.A O no hydrogen 2.919 N/A ARG 200.A N ILE 196.A O no hydrogen 2.941 N/A MET 201.A N GLU 197.A O.A no hydrogen 3.064 N/A MET 201.A N GLU 197.A O.B no hydrogen 3.083 N/A MET 201.A N LEU 198.A O no hydrogen 3.243 N/A LEU 202.A N MET 199.A O no hydrogen 3.203 N/A GLY 204.A N GLN 127.A OE1 no hydrogen 3.236 N/A GLY 205.A N ASP 203.A OD1 no hydrogen 2.457 N/A LEU 209.A N LEU 125.A O no hydrogen 2.893 N/A ARG 210.A N HIS 221.A O no hydrogen 2.837 N/A VAL 211.A N PHE 123.A O no hydrogen 2.809 N/A GLN 212.A N ARG 219.A O no hydrogen 2.932 N/A GLN 212.A NE2 GLU 122.A OE2 no hydrogen 2.964 N/A ILE 213.A N VAL 121.A O no hydrogen 2.750 N/A GLY 214.A N ASN 217.A O no hydrogen 2.852 N/A SER 215.A OG ASN 216.A OD1 no hydrogen 3.561 N/A ILE 218.A N SER 229.A O no hydrogen 2.931 N/A ARG 219.A N GLN 212.A O no hydrogen 2.777 N/A ARG 219.A NE THR 228.A OG1 no hydrogen 2.868 N/A ARG 219.A NH2 THR 228.A OG1 no hydrogen 3.155 N/A ALA 220.A N PHE 227.A O no hydrogen 2.837 N/A HIS 221.A N ARG 210.A O no hydrogen 2.774 N/A VAL 222.A N PHE 225.A O no hydrogen 3.140 N/A PHE 225.A N VAL 222.A O no hydrogen 2.925 N/A ILE 226.A N VAL 49.A O no hydrogen 2.827 N/A PHE 227.A N ALA 220.A O no hydrogen 2.922 N/A THR 228.A N GLU 47.A O no hydrogen 2.796 N/A SER 229.A N ILE 218.A O no hydrogen 2.962 N/A SER 229.A OG LYS 230.A O no hydrogen 2.859 N/A LYS 230.A N GLU 45.A O no hydrogen 2.925 N/A LYS 230.A NZ GLU 45.A OE2 no hydrogen 2.950 N/A LEU 231.A N ASN 216.A O no hydrogen 3.077 N/A VAL 232.A N ILE 189.A O no hydrogen 2.907 N/A ARG 240.A N ASP 238.A OD1 no hydrogen 3.114 N/A ARG 240.A NE ASP 238.A OD1 no hydrogen 2.958 N/A ARG 240.A NE ASP 238.A OD2 no hydrogen 3.330 N/A ARG 240.A NH2 ASP 238.A OD2 no hydrogen 2.923 N/A ARG 241.A N ASP 238.A O no hydrogen 2.876 N/A VAL 242.A N TYR 239.A O no hydrogen 3.036 N/A LEU 243.A N TYR 239.A O no hydrogen 2.854 N/A ASP 248.A N ASN 246.A O no hydrogen 2.883 N/A LYS 249.A N LEU 335.A O no hydrogen 3.266 N/A LYS 249.A NZ THR 336.A O no hydrogen 3.007 N/A LEU 251.A N MET 333.A O no hydrogen 2.779 N/A GLU 252.A N THR 304.A O no hydrogen 2.910 N/A ALA 253.A N VAL 331.A O.A no hydrogen 3.071 N/A ALA 253.A N VAL 331.A O.B no hydrogen 3.065 N/A CYS 255.A N GLU 329.A O no hydrogen 2.749 N/A CYS 255.A SG LEU 323.A O no hydrogen 3.707 N/A LEU 258.A N GLY 254.A O no hydrogen 2.967 N/A LYS 259.A N CYS 255.A O no hydrogen 2.879 N/A LYS 259.A NZ ASN 324.A OD1 no hydrogen 2.847 N/A GLN 260.A N ASP 256.A O no hydrogen 2.904 N/A ALA 261.A N LEU 257.A O no hydrogen 3.167 N/A PHE 262.A N LEU 258.A O no hydrogen 3.046 N/A ALA 263.A N LYS 259.A O no hydrogen 2.788 N/A ARG 264.A N GLN 260.A O no hydrogen 3.014 N/A ARG 264.A NE GLU 299.A OE1 no hydrogen 3.418 N/A ARG 264.A NE GLU 299.A OE2 no hydrogen 2.658 N/A ARG 264.A NH1 GLN 260.A OE1.B no hydrogen 3.252 N/A ARG 264.A NH2 GLU 299.A OE1 no hydrogen 2.862 N/A ALA 265.A N ALA 261.A O no hydrogen 2.980 N/A ALA 266.A N PHE 262.A O no hydrogen 2.811 N/A ILE 267.A N ARG 264.A O no hydrogen 3.112 N/A LEU 268.A N ALA 265.A O no hydrogen 3.075 N/A SER 269.A N ALA 266.A O no hydrogen 2.968 N/A SER 269.A OG ALA 266.A O no hydrogen 2.627 N/A LYS 272.A N ASN 270.A OD1 no hydrogen 2.922 N/A PHE 273.A N ASN 270.A OD1 no hydrogen 3.036 N/A ARG 274.A N ASN 270.A O no hydrogen 2.698 N/A ARG 274.A NE SER 317.A OG.B no hydrogen 2.959 N/A ARG 274.A NH2 SER 317.A OG.B no hydrogen 3.154 N/A VAL 276.A N PHE 314.A O no hydrogen 2.961 N/A ARG 277.A N THR 288.A O no hydrogen 2.928 N/A LEU 278.A N ILE 312.A O no hydrogen 2.688 N/A TYR 279.A N LYS 286.A O no hydrogen 2.728 N/A VAL 280.A N.A MET 310.A O no hydrogen 2.874 N/A VAL 280.A N.B MET 310.A O no hydrogen 2.867 N/A SER 281.A N GLN 284.A O no hydrogen 2.975 N/A ASN 283.A N TYR 305.A O no hydrogen 2.968 N/A ASN 283.A ND2 VAL 303.A O no hydrogen 3.570 N/A GLN 284.A N SER 281.A O no hydrogen 3.006 N/A LEU 285.A N LEU 301.A O no hydrogen 3.106 N/A LYS 286.A N TYR 279.A O no hydrogen 2.932 N/A ILE 287.A N GLU 299.A O no hydrogen 2.844 N/A THR 288.A N ARG 277.A O no hydrogen 2.952 N/A ALA 289.A N ALA 297.A O no hydrogen 2.988 N/A ASN 291.A N GLU 295.A O no hydrogen 3.278 N/A ASN 291.A ND2 GLU 295.A OE1 no hydrogen 2.979 N/A GLN 294.A N ASN 291.A O no hydrogen 2.837 N/A GLU 295.A N ASN 291.A OD1 no hydrogen 3.104 N/A ALA 297.A N ALA 289.A O no hydrogen 2.826 N/A GLU 299.A N ILE 287.A O no hydrogen 2.794 N/A LEU 301.A N LEU 285.A O no hydrogen 2.897 N/A VAL 303.A N ASN 283.A O no hydrogen 3.207 N/A THR 304.A N GLU 252.A O no hydrogen 2.890 N/A TYR 305.A OH ALA 308.A O no hydrogen 2.460 N/A MET 310.A N VAL 280.A O.A no hydrogen 3.239 N/A MET 310.A N VAL 280.A O.B no hydrogen 3.228 N/A ILE 312.A N LEU 278.A O no hydrogen 2.977 N/A PHE 314.A N VAL 276.A O no hydrogen 3.002 N/A VAL 316.A N ARG 274.A O no hydrogen 2.844 N/A SER 317.A N ASN 315.A OD1 no hydrogen 2.811 N/A SER 317.A OG.A ASN 315.A OD1 no hydrogen 2.569 N/A TYR 318.A N ASN 315.A OD1 no hydrogen 3.333 N/A VAL 319.A N ASN 315.A O no hydrogen 3.489 N/A LEU 320.A N VAL 316.A O no hydrogen 2.846 N/A ASP 321.A N SER 317.A O no hydrogen 2.802 N/A VAL 322.A N TYR 318.A O no hydrogen 3.258 N/A LEU 323.A N VAL 319.A O no hydrogen 3.051 N/A ASN 324.A N LEU 320.A O no hydrogen 2.918 N/A ALA 325.A N ASP 321.A O no hydrogen 3.028 N/A LEU 326.A N VAL 322.A O no hydrogen 2.956 N/A CYS 328.A SG ASN 330.A O no hydrogen 3.508 N/A VAL 331.A N.A ALA 253.A O no hydrogen 2.766 N/A VAL 331.A N.B ALA 253.A O no hydrogen 2.787 N/A ARG 332.A N GLU 345.A O no hydrogen 2.767 N/A ARG 332.A NH1 ALA 347.A O no hydrogen 3.100 N/A MET 333.A N LEU 251.A O no hydrogen 2.791 N/A MET 334.A N GLN 343.A O no hydrogen 2.721 N/A LEU 335.A N LYS 249.A O no hydrogen 2.806 N/A VAL 339.A N ASP 337.A OD1 no hydrogen 3.003 N/A SER 340.A N ASP 337.A O no hydrogen 3.388 N/A SER 340.A OG ASP 337.A OD1 no hydrogen 2.480 N/A SER 340.A OG ASP 337.A OD2 no hydrogen 3.351 N/A VAL 342.A N.A VAL 356.A O no hydrogen 3.063 N/A VAL 342.A N.B VAL 356.A O no hydrogen 3.068 N/A GLN 343.A N MET 334.A O no hydrogen 3.019 N/A GLN 343.A NE2 GLU 345.A OE2 no hydrogen 2.643 N/A ILE 344.A N TYR 354.A O no hydrogen 2.771 N/A GLU 345.A N ARG 332.A O no hydrogen 2.940 N/A ALA 347.A N ASN 330.A O no hydrogen 2.843 N/A ALA 348.A N ASP 346.A OD1 no hydrogen 2.883 N/A SER 349.A N ASP 346.A O no hydrogen 3.191 N/A SER 351.A N SER 349.A OG no hydrogen 3.085 N/A SER 351.A OG SER 176.A O no hydrogen 3.032 N/A ALA 353.A N VAL 174.A O no hydrogen 2.934 N/A TYR 354.A N ILE 344.A O no hydrogen 2.987 N/A TYR 354.A OH ALA 136.A O no hydrogen 2.644 N/A VAL 355.A N LEU 172.A O no hydrogen 2.848 N/A VAL 356.A N VAL 342.A O.A no hydrogen 3.028 N/A VAL 356.A N VAL 342.A O.B no hydrogen 3.029 N/A MET 357.A N HIS 170.A O no hydrogen 3.125 N/A MET 359.A N GLY 313.A O no hydrogen 2.703 N/A