Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2dkf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N LEU 19.A O no hydrogen 2.868 N/A ILE 2.A N VAL 422.A O no hydrogen 2.867 N/A VAL 3.A N LEU 17.A O no hydrogen 2.420 N/A PHE 5.A N ALA 15.A O no hydrogen 2.680 N/A ARG 9.A NE LEU 415.A O no hydrogen 3.503 N/A HIS 16.A N LEU 27.A O no hydrogen 3.054 N/A LEU 17.A N VAL 3.A O no hydrogen 2.887 N/A LEU 18.A N VAL 25.A O no hydrogen 2.960 N/A LEU 19.A N ARG 1.A O no hydrogen 2.693 N/A ALA 20.A N ARG 23.A O no hydrogen 3.204 N/A GLY 21.A N GLU 149.A OE1 no hydrogen 2.792 N/A ARG 23.A N ALA 20.A O no hydrogen 2.441 N/A ARG 24.A N ASP 51.A OD2 no hydrogen 2.658 N/A VAL 25.A N LEU 18.A O no hydrogen 2.980 N/A LEU 26.A N ALA 52.A O no hydrogen 2.817 N/A LEU 27.A N HIS 16.A O no hydrogen 2.709 N/A ASP 28.A N LEU 54.A O no hydrogen 2.916 N/A CYS 29.A N HIS 62.A O no hydrogen 2.798 N/A GLY 30.A N SER 14.A O no hydrogen 2.893 N/A GLN 32.A N THR 12.A OG1 no hydrogen 3.278 N/A GLU 36.A N GLY 33.A O no hydrogen 3.371 N/A ARG 38.A N GLU 36.A O no hydrogen 2.302 N/A ARG 38.A NE GLU 35.A OE2 no hydrogen 3.341 N/A ARG 38.A NH1 GLU 10.A OE2 no hydrogen 3.006 N/A ARG 38.A NH2 GLU 10.A OE2 no hydrogen 3.115 N/A HIS 40.A N ALA 37.A O no hydrogen 2.586 N/A HIS 40.A NE2 GLU 99.A O no hydrogen 3.008 N/A PHE 45.A N PHE 43.A O no hydrogen 2.289 N/A LYS 48.A N ASP 46.A OD1 no hydrogen 3.301 N/A GLU 49.A N ASP 46.A O no hydrogen 2.712 N/A VAL 50.A N PRO 47.A O no hydrogen 3.342 N/A ASP 51.A N ARG 24.A O no hydrogen 2.566 N/A VAL 53.A N PRO 77.A O no hydrogen 3.166 N/A LEU 54.A N LEU 26.A O no hydrogen 2.982 N/A LEU 55.A N TYR 79.A O no hydrogen 2.672 N/A THR 56.A N ASP 28.A OD1 no hydrogen 2.538 N/A THR 56.A OG1 ASP 28.A OD1 no hydrogen 3.104 N/A THR 56.A OG1 ASP 28.A OD2 no hydrogen 2.868 N/A THR 56.A OG1 HIS 57.A ND1 no hydrogen 3.035 N/A HIS 57.A ND1 THR 56.A OG1 no hydrogen 3.035 N/A HIS 62.A ND1 ASP 28.A OD2 no hydrogen 2.537 N/A HIS 62.A NE2 ASP 158.A OD1 no hydrogen 3.065 N/A VAL 63.A N LEU 60.A O no hydrogen 3.212 N/A GLY 64.A N LEU 60.A O no hydrogen 2.530 N/A ARG 65.A N CYS 29.A O no hydrogen 2.857 N/A ARG 65.A NE GLY 30.A O no hydrogen 2.723 N/A ARG 65.A NH2 PHE 5.A O no hydrogen 3.430 N/A LYS 68.A NZ ASN 39.A O no hydrogen 2.474 N/A LEU 69.A N ARG 65.A O no hydrogen 3.010 N/A PHE 70.A N LEU 66.A O no hydrogen 3.264 N/A PHE 70.A N PRO 67.A O no hydrogen 3.067 N/A ARG 71.A N PRO 67.A O no hydrogen 2.827 N/A ARG 71.A NE ASP 106.A OD2 no hydrogen 3.140 N/A GLU 72.A N LYS 68.A O no hydrogen 2.991 N/A GLY 73.A N PHE 70.A O no hydrogen 2.922 N/A TYR 74.A OH PRO 77.A O no hydrogen 2.646 N/A ARG 75.A NH1 PHE 70.A O no hydrogen 2.781 N/A ARG 75.A NH1 TYR 74.A O no hydrogen 2.609 N/A VAL 78.A N HIS 113.A O no hydrogen 3.113 N/A TYR 79.A N VAL 53.A O no hydrogen 2.685 N/A ALA 80.A N ARG 115.A O no hydrogen 3.443 N/A THR 81.A OG1 THR 84.A OG1 no hydrogen 3.088 N/A THR 81.A OG1 GLY 140.A O no hydrogen 2.959 N/A ARG 82.A N GLU 118.A OE2 no hydrogen 2.913 N/A THR 84.A N THR 81.A OG1 no hydrogen 3.273 N/A THR 84.A OG1 THR 81.A OG1 no hydrogen 3.088 N/A THR 84.A OG1 GLY 140.A O no hydrogen 3.045 N/A VAL 85.A N THR 81.A O no hydrogen 2.844 N/A LEU 86.A N ARG 82.A O no hydrogen 2.740 N/A LEU 87.A N ALA 83.A O no hydrogen 3.050 N/A VAL 90.A N LEU 87.A O no hydrogen 2.755 N/A GLU 92.A N GLU 88.A O no hydrogen 2.950 N/A ASP 93.A N ILE 89.A O no hydrogen 3.081 N/A ALA 94.A N VAL 90.A O no hydrogen 3.326 N/A LEU 95.A N LEU 91.A O no hydrogen 2.774 N/A LYS 96.A N GLU 92.A O no hydrogen 3.153 N/A VAL 97.A N ASP 93.A O no hydrogen 2.874 N/A GLY 103.A N ASP 106.A OD2 no hydrogen 2.300 N/A GLU 105.A N GLU 105.A OE2 no hydrogen 2.641 N/A VAL 107.A N GLY 103.A O no hydrogen 3.126 N/A GLU 108.A N PRO 104.A O no hydrogen 3.181 N/A GLU 109.A N GLU 105.A O no hydrogen 2.929 N/A ALA 110.A N ASP 106.A O no hydrogen 2.801 N/A LEU 111.A N VAL 107.A O no hydrogen 2.737 N/A GLY 112.A N GLU 108.A O no hydrogen 2.633 N/A HIS 113.A N ALA 110.A O no hydrogen 3.224 N/A LEU 114.A N LEU 111.A O no hydrogen 3.365 N/A ARG 115.A N VAL 78.A O no hydrogen 3.138 N/A LEU 117.A N ALA 80.A O no hydrogen 2.770 N/A GLU 118.A N GLU 121.A OE1 no hydrogen 2.918 N/A TYR 119.A OH SER 141.A O no hydrogen 2.650 N/A GLY 120.A N PHE 132.A O no hydrogen 3.264 N/A LEU 123.A N LEU 130.A O no hydrogen 2.816 N/A LEU 125.A N LEU 128.A O no hydrogen 3.195 N/A SER 129.A N GLN 147.A O no hydrogen 2.951 N/A LEU 130.A N LEU 123.A O no hydrogen 2.984 N/A ALA 131.A N VAL 145.A O no hydrogen 2.974 N/A GLY 133.A N PHE 143.A O no hydrogen 3.078 N/A ALA 135.A N SER 141.A O no hydrogen 3.364 N/A GLY 136.A N GLN 134.A OE1 no hydrogen 2.934 N/A HIS 137.A N SER 141.A OG no hydrogen 2.919 N/A LEU 138.A N SER 141.A OG no hydrogen 3.392 N/A SER 141.A N LEU 138.A O no hydrogen 3.014 N/A SER 141.A OG LEU 138.A O no hydrogen 3.300 N/A PHE 143.A N GLY 133.A O no hydrogen 3.050 N/A VAL 144.A N TYR 155.A O no hydrogen 2.734 N/A VAL 145.A N ALA 131.A O no hydrogen 2.869 N/A ALA 146.A N LEU 153.A O no hydrogen 2.661 N/A GLN 147.A N SER 129.A O no hydrogen 2.797 N/A GLY 148.A N ARG 151.A O no hydrogen 2.929 N/A ARG 151.A N GLY 148.A O no hydrogen 3.359 N/A THR 152.A N ASP 177.A OD1 no hydrogen 2.982 N/A LEU 153.A N ALA 146.A O no hydrogen 2.635 N/A VAL 154.A N LEU 178.A O no hydrogen 2.910 N/A TYR 155.A N VAL 144.A O no hydrogen 2.893 N/A TYR 155.A OH ASP 28.A OD2 no hydrogen 2.711 N/A SER 156.A N LEU 180.A O no hydrogen 2.690 N/A SER 156.A OG GLY 157.A O no hydrogen 2.801 N/A SER 156.A OG LEU 180.A O no hydrogen 3.461 N/A LEU 159.A N GLU 182.A OE1 no hydrogen 2.637 N/A GLY 160.A N ALA 135.A O no hydrogen 3.157 N/A LYS 164.A NZ GLU 226.A OE1 no hydrogen 2.436 N/A LYS 164.A NZ PHE 370.A O no hydrogen 3.002 N/A LYS 164.A NZ SER 371.A O no hydrogen 3.160 N/A SER 171.A N GLN 134.A O no hydrogen 2.727 N/A SER 171.A OG LEU 172.A O no hydrogen 2.765 N/A ALA 176.A N GLU 386.A OE2 no hydrogen 2.990 N/A ASP 177.A N THR 152.A O no hydrogen 2.826 N/A LEU 178.A N THR 152.A O no hydrogen 3.419 N/A VAL 179.A N ARG 388.A O no hydrogen 3.293 N/A LEU 180.A N VAL 154.A O no hydrogen 2.702 N/A ALA 181.A N VAL 390.A O no hydrogen 3.194 N/A GLU 182.A N SER 156.A OG no hydrogen 2.930 N/A GLY 183.A N HIS 393.A O no hydrogen 2.877 N/A THR 184.A OG1 GLU 182.A OE2 no hydrogen 2.215 N/A THR 184.A OG1 HIS 393.A ND1 no hydrogen 3.103 N/A HIS 190.A ND1 TYR 334.A OH no hydrogen 3.072 N/A HIS 190.A NE2 HIS 373.A O no hydrogen 2.765 N/A ARG 191.A NE GLU 195.A OE1 no hydrogen 2.829 N/A ARG 191.A NH1 GLU 199.A OE2 no hydrogen 2.429 N/A ARG 191.A NH2 GLU 195.A OE1 no hydrogen 3.135 N/A TYR 193.A N GLU 163.A OE1 no hydrogen 2.656 N/A THR 196.A N PRO 192.A O no hydrogen 3.314 N/A THR 196.A OG1 PRO 192.A O no hydrogen 2.862 N/A VAL 197.A N TYR 193.A O no hydrogen 2.865 N/A ARG 198.A N ARG 194.A O no hydrogen 2.910 N/A GLU 199.A N GLU 195.A O no hydrogen 2.904 N/A PHE 200.A N THR 196.A O no hydrogen 2.784 N/A LEU 201.A N VAL 197.A O no hydrogen 2.916 N/A GLU 202.A N GLU 199.A O no hydrogen 2.930 N/A ILE 203.A N GLU 199.A O no hydrogen 3.102 N/A LEU 204.A N PHE 200.A O no hydrogen 3.028 N/A GLU 205.A N LEU 201.A O no hydrogen 3.008 N/A LYS 206.A N GLU 202.A O no hydrogen 2.939 N/A THR 207.A N ILE 203.A O no hydrogen 3.092 N/A THR 207.A OG1 ILE 203.A O no hydrogen 2.993 N/A LEU 208.A N LEU 204.A O no hydrogen 2.992 N/A SER 209.A OG GLU 205.A O no hydrogen 2.698 N/A SER 209.A OG GLU 205.A OE1 no hydrogen 2.850 N/A GLN 210.A N LYS 206.A O no hydrogen 3.244 N/A GLN 210.A NE2 ARG 326.A O no hydrogen 2.652 N/A GLY 211.A N LEU 208.A O no hydrogen 2.981 N/A GLY 212.A N THR 207.A O no hydrogen 2.623 N/A LYS 213.A N ASN 327.A OD1 no hydrogen 3.155 N/A LYS 213.A NZ ALA 298.A O no hydrogen 2.631 N/A ILE 216.A N VAL 303.A O no hydrogen 2.686 N/A THR 218.A N ALA 305.A O no hydrogen 3.035 N/A ARG 223.A NE VAL 332.A O no hydrogen 2.894 N/A ALA 224.A N PHE 219.A O no hydrogen 3.088 N/A GLN 225.A NE2 ALA 249.A O no hydrogen 3.671 N/A GLU 226.A N GLU 222.A O no hydrogen 3.225 N/A ILE 227.A N ARG 223.A O no hydrogen 3.257 N/A ILE 227.A N ALA 224.A O no hydrogen 2.950 N/A LEU 228.A N ALA 224.A O no hydrogen 3.061 N/A TYR 229.A N GLN 225.A O no hydrogen 2.742 N/A TYR 229.A OH GLU 266.A OE1 no hydrogen 2.297 N/A VAL 230.A N GLU 226.A O no hydrogen 3.079 N/A LEU 231.A N ILE 227.A O no hydrogen 2.753 N/A TYR 232.A N LEU 228.A O no hydrogen 2.870 N/A THR 233.A N TYR 229.A O no hydrogen 3.133 N/A THR 233.A OG1 TYR 229.A O no hydrogen 3.120 N/A GLY 235.A N TYR 232.A O no hydrogen 3.018 N/A ARG 237.A N HIS 234.A O no hydrogen 3.317 N/A ILE 243.A N GLY 282.A O no hydrogen 3.033 N/A TYR 244.A N VAL 302.A O no hydrogen 2.817 N/A ASP 246.A N LEU 304.A O no hydrogen 2.800 N/A GLY 250.A N SER 247.A O no hydrogen 2.831 N/A ARG 251.A N PRO 248.A O no hydrogen 2.735 N/A LEU 253.A N ALA 249.A O no hydrogen 2.857 N/A SER 254.A N GLY 250.A O no hydrogen 2.832 N/A SER 254.A OG GLY 250.A O no hydrogen 3.173 N/A LEU 255.A N ARG 251.A O no hydrogen 3.181 N/A TYR 256.A N LEU 253.A O no hydrogen 2.898 N/A ARG 258.A N LEU 255.A O no hydrogen 3.044 N/A LEU 259.A N TYR 256.A O no hydrogen 2.915 N/A TYR 262.A N LEU 259.A O no hydrogen 2.736 N/A TYR 262.A OH GLU 118.A OE1 no hydrogen 2.746 N/A TYR 262.A OH GLU 118.A OE2 no hydrogen 2.689 N/A PHE 263.A N VAL 260.A O no hydrogen 3.123 N/A SER 264.A N VAL 166.A O no hydrogen 2.665 N/A SER 264.A OG ASP 165.A O no hydrogen 2.599 N/A SER 264.A OG VAL 166.A O no hydrogen 2.855 N/A VAL 267.A N SER 264.A OG no hydrogen 3.151 N/A GLN 268.A N SER 264.A O no hydrogen 2.839 N/A GLN 268.A NE2 PHE 263.A O no hydrogen 2.949 N/A ALA 269.A N GLU 265.A O no hydrogen 2.747 N/A HIS 270.A N GLU 266.A O no hydrogen 3.314 N/A PHE 271.A N VAL 267.A O no hydrogen 3.273 N/A LEU 272.A N GLN 268.A O no hydrogen 3.027 N/A GLN 273.A N ALA 269.A O no hydrogen 3.114 N/A GLY 274.A N PHE 271.A O no hydrogen 2.973 N/A LYS 275.A N HIS 270.A O no hydrogen 3.181 N/A PHE 278.A N ASN 276.A OD1 no hydrogen 2.713 N/A LEU 283.A N PRO 280.A O no hydrogen 3.177 N/A GLU 284.A N ILE 243.A O no hydrogen 3.044 N/A VAL 286.A N LEU 245.A O no hydrogen 3.101 N/A SER 292.A N HIS 288.A O no hydrogen 3.218 N/A SER 292.A OG ASP 246.A OD1 no hydrogen 2.293 N/A SER 292.A OG ASP 246.A OD2 no hydrogen 3.085 N/A LYS 293.A N THR 289.A O no hydrogen 2.696 N/A ALA 294.A N GLU 290.A O no hydrogen 3.018 N/A LEU 295.A N ALA 291.A O no hydrogen 3.366 N/A ASN 296.A N LYS 293.A O no hydrogen 2.882 N/A ARG 297.A N ALA 294.A O no hydrogen 3.215 N/A ALA 298.A N ALA 294.A O no hydrogen 2.970 N/A VAL 303.A N VAL 214.A O no hydrogen 3.014 N/A LEU 304.A N TYR 244.A O no hydrogen 2.823 N/A ALA 305.A N ILE 216.A O no hydrogen 3.146 N/A SER 307.A OG LEU 309.A O no hydrogen 3.137 N/A LEU 315.A N GLY 312.A O no hydrogen 3.212 N/A HIS 316.A N ARG 313.A O no hydrogen 2.917 N/A HIS 317.A N ARG 313.A O no hydrogen 3.222 N/A HIS 317.A NE2 SER 292.A O no hydrogen 3.177 N/A LEU 318.A N ILE 314.A O no hydrogen 2.840 N/A LYS 319.A N LEU 315.A O no hydrogen 2.715 N/A HIS 320.A N HIS 316.A O no hydrogen 3.327 N/A HIS 320.A ND1 HIS 316.A O no hydrogen 3.185 N/A ARG 326.A N ASP 324.A OD2 no hydrogen 2.559 N/A ALA 328.A N LYS 213.A O no hydrogen 3.062 N/A LEU 329.A N SER 363.A O no hydrogen 2.644 N/A VAL 330.A N LEU 215.A O no hydrogen 3.059 N/A PHE 331.A N HIS 365.A O no hydrogen 2.950 N/A TYR 334.A OH HIS 190.A ND1 no hydrogen 3.072 N/A GLN 335.A NE2 GLY 308.A O no hydrogen 3.333 N/A GLN 335.A NE2 GLY 333.A O no hydrogen 3.029 N/A GLY 338.A N GLN 337.A OE1 no hydrogen 2.477 N/A GLY 339.A N PRO 336.A O no hydrogen 3.207 N/A GLU 343.A N GLY 339.A O no hydrogen 3.410 N/A ILE 345.A N GLY 341.A O no hydrogen 2.487 N/A ALA 346.A N ALA 342.A O no hydrogen 3.139 N/A ARG 347.A N ILE 344.A O no hydrogen 3.002 N/A ARG 347.A NH1 ALA 362.A O no hydrogen 3.064 N/A ARG 347.A NH2 ALA 362.A O no hydrogen 3.022 N/A VAL 351.A N VAL 358.A O no hydrogen 2.905 N/A ILE 353.A N GLU 356.A O no hydrogen 3.370 N/A GLU 356.A N ILE 353.A O no hydrogen 3.058 N/A VAL 358.A N VAL 351.A O no hydrogen 2.803 N/A LEU 360.A N PRO 349.A O no hydrogen 3.024 N/A ARG 361.A N LEU 322.A O no hydrogen 2.720 N/A ALA 362.A N LEU 322.A O no hydrogen 2.880 N/A SER 363.A N ASN 327.A O no hydrogen 3.196 N/A SER 363.A OG ASN 327.A O no hydrogen 3.372 N/A SER 363.A OG HIS 365.A NE2 no hydrogen 2.743 N/A HIS 365.A N LEU 329.A O no hydrogen 2.881 N/A HIS 365.A NE2 SER 363.A OG no hydrogen 2.743 N/A LEU 367.A N PHE 331.A O no hydrogen 2.703 N/A PHE 370.A N LEU 367.A O no hydrogen 3.387 N/A HIS 373.A N SER 371.A OG no hydrogen 3.232 N/A HIS 373.A NE2 ASP 158.A OD1 no hydrogen 3.101 N/A ALA 374.A N LEU 159.A O no hydrogen 2.604 N/A GLY 375.A N GLU 378.A OE1 no hydrogen 2.670 N/A GLN 376.A N ARG 188.A O no hydrogen 2.940 N/A LEU 379.A N GLY 375.A O no hydrogen 2.788 N/A LEU 380.A N GLN 376.A O no hydrogen 2.948 N/A ASP 381.A N ASP 377.A O no hydrogen 3.242 N/A TRP 382.A N GLU 378.A O no hydrogen 2.999 N/A TRP 382.A NE1 SER 171.A O no hydrogen 2.707 N/A LEU 383.A N LEU 379.A O no hydrogen 3.057 N/A GLN 384.A N LEU 380.A O no hydrogen 3.003 N/A GLU 386.A N LEU 383.A O no hydrogen 2.951 N/A ARG 388.A NH1 PRO 423.A O no hydrogen 3.084 N/A ARG 388.A NH2 PRO 423.A O no hydrogen 3.105 N/A VAL 389.A N GLU 412.A O no hydrogen 2.684 N/A VAL 390.A N VAL 179.A O no hydrogen 2.888 N/A LEU 391.A N SER 414.A O no hydrogen 2.709 N/A VAL 392.A N ALA 181.A O no hydrogen 2.880 N/A HIS 393.A N ALA 7.A O no hydrogen 2.666 N/A GLY 394.A N GLU 10.A O no hydrogen 3.312 N/A GLU 397.A N GLU 397.A OE2 no hydrogen 2.443 N/A LEU 399.A N GLU 395.A O no hydrogen 2.873 N/A LEU 400.A N GLU 396.A O no hydrogen 2.759 N/A ALA 401.A N GLU 397.A O no hydrogen 2.876 N/A LEU 402.A N LYS 398.A O no hydrogen 3.035 N/A GLY 403.A N LEU 399.A O no hydrogen 2.887 N/A LYS 404.A N LEU 400.A O no hydrogen 2.614 N/A LEU 405.A N ALA 401.A O no hydrogen 3.482 N/A LEU 406.A N LEU 402.A O no hydrogen 2.975 N/A ALA 407.A N GLY 403.A O no hydrogen 2.767 N/A LEU 408.A N LYS 404.A O no hydrogen 2.823 N/A ARG 409.A N LEU 406.A O no hydrogen 2.958 N/A ARG 409.A NE GLN 411.A OE1 no hydrogen 3.212 N/A ARG 409.A NH2 LEU 380.A O no hydrogen 2.834 N/A ARG 409.A NH2 GLN 411.A OE1 no hydrogen 3.234 N/A GLY 410.A N ALA 407.A O no hydrogen 3.059 N/A GLN 411.A N LEU 406.A O no hydrogen 3.210 N/A GLN 411.A NE2 LEU 383.A O no hydrogen 3.091 N/A GLN 411.A NE2 GLU 386.A O no hydrogen 2.502 N/A SER 414.A N VAL 389.A O no hydrogen 3.114 N/A ARG 417.A NE GLU 420.A OE2 no hydrogen 2.724 N/A GLY 419.A N PRO 4.A O no hydrogen 2.909 N/A GLU 420.A N ARG 417.A O no hydrogen 3.193 N/A VAL 422.A N ILE 2.A O no hydrogen 2.788 N/A