Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 ASP 4.A OD2 no hydrogen 3.157 N/A VAL 5.A N THR 1.A O no hydrogen 2.895 N/A ALA 6.A N ILE 2.A O no hydrogen 2.773 N/A LYS 7.A N LYS 3.A O no hydrogen 3.079 N/A ARG 8.A N ASP 4.A O no hydrogen 3.306 N/A ALA 9.A N VAL 5.A O no hydrogen 3.149 N/A ASN 10.A N LYS 7.A O no hydrogen 3.054 N/A ASN 10.A ND2 LYS 7.A O no hydrogen 3.627 N/A VAL 11.A N ALA 6.A O no hydrogen 2.919 N/A THR 15.A N SER 12.A OG no hydrogen 3.330 N/A VAL 16.A N SER 12.A O no hydrogen 2.922 N/A SER 17.A N THR 13.A O no hydrogen 2.822 N/A HIS 18.A N THR 14.A O no hydrogen 2.938 N/A VAL 19.A N THR 15.A O no hydrogen 2.971 N/A ILE 20.A N VAL 16.A O no hydrogen 2.916 N/A ASN 21.A N SER 17.A O no hydrogen 3.113 N/A ASN 21.A ND2 SER 17.A O no hydrogen 3.085 N/A LYS 22.A N VAL 19.A O no hydrogen 3.401 N/A THR 23.A N HIS 18.A O no hydrogen 3.035 N/A ARG 31.A N ALA 27.A O no hydrogen 2.611 N/A ARG 31.A NE VAL 26.A O no hydrogen 3.190 N/A ARG 31.A NH2 VAL 26.A O no hydrogen 2.809 N/A ASN 32.A N GLU 28.A O no hydrogen 2.665 N/A ALA 33.A N GLU 29.A O no hydrogen 3.012 N/A VAL 34.A N THR 30.A O no hydrogen 3.095 N/A TRP 35.A N ARG 31.A O no hydrogen 3.051 N/A ALA 36.A N ASN 32.A O no hydrogen 2.880 N/A ALA 37.A N ALA 33.A O no hydrogen 2.787 N/A ILE 38.A N VAL 34.A O no hydrogen 2.637 N/A LYS 39.A N TRP 35.A O no hydrogen 2.579 N/A GLU 40.A N ALA 36.A O no hydrogen 3.052 N/A LEU 41.A N ALA 37.A O no hydrogen 2.883 N/A HIS 42.A N LYS 39.A O no hydrogen 2.444 N/A TYR 43.A N ILE 38.A O no hydrogen 2.992 N/A ALA 49.A N SER 46.A OG no hydrogen 2.954 N/A ARG 50.A N SER 46.A O no hydrogen 3.004 N/A SER 51.A N ALA 47.A O no hydrogen 2.750 N/A SER 51.A OG ALA 47.A O no hydrogen 2.386 N/A LEU 52.A N VAL 48.A O no hydrogen 3.041 N/A LYS 53.A N ALA 49.A O no hydrogen 3.232 N/A VAL 54.A N ARG 50.A O no hydrogen 2.950 N/A ASN 55.A N SER 51.A O no hydrogen 2.789 N/A THR 57.A N ASP 115.A OD1 no hydrogen 2.760 N/A THR 57.A OG1 SER 59.A O no hydrogen 3.559 N/A THR 57.A OG1 SER 59.A OG no hydrogen 2.747 N/A THR 57.A OG1 ARG 113.A O no hydrogen 3.082 N/A THR 57.A OG1 ASP 115.A OD1 no hydrogen 2.982 N/A LYS 58.A N ASP 115.A OD2 no hydrogen 2.438 N/A SER 59.A N THR 57.A OG1 no hydrogen 3.131 N/A SER 59.A OG THR 57.A OG1 no hydrogen 2.747 N/A ILE 60.A N THR 89.A O no hydrogen 2.665 N/A GLY 61.A N GLY 116.A O no hydrogen 3.215 N/A LEU 62.A N ILE 91.A O no hydrogen 2.905 N/A LEU 63.A N LEU 118.A O no hydrogen 2.872 N/A ALA 64.A N GLY 93.A O no hydrogen 2.677 N/A THR 65.A OG1 MET 120.A O no hydrogen 3.409 N/A SER 67.A OG ASN 94.A OD1 no hydrogen 3.281 N/A TYR 71.A OH GLN 290.A OE1 no hydrogen 2.886 N/A ALA 73.A N ALA 69.A O no hydrogen 2.650 N/A GLU 74.A N ALA 70.A O no hydrogen 2.837 N/A GLU 74.A N TYR 71.A O no hydrogen 2.760 N/A ILE 75.A N TYR 71.A O no hydrogen 3.283 N/A ILE 76.A N PHE 72.A O no hydrogen 2.824 N/A GLU 77.A N ALA 73.A O no hydrogen 3.209 N/A ALA 78.A N GLU 74.A O no hydrogen 3.252 N/A VAL 79.A N ILE 75.A O no hydrogen 2.871 N/A GLU 80.A N ILE 76.A O no hydrogen 2.881 N/A LYS 81.A N GLU 77.A O no hydrogen 3.186 N/A ASN 82.A N ALA 78.A O no hydrogen 3.208 N/A ASN 82.A ND2 ALA 78.A O no hydrogen 2.984 N/A CYS 83.A N VAL 79.A O no hydrogen 2.999 N/A CYS 83.A SG VAL 79.A O no hydrogen 3.517 N/A PHE 84.A N GLU 80.A O no hydrogen 2.895 N/A GLN 85.A N LYS 81.A O no hydrogen 3.114 N/A GLN 85.A N ASN 82.A O no hydrogen 3.219 N/A LYS 86.A N ASN 82.A O no hydrogen 3.298 N/A LYS 86.A N CYS 83.A O no hydrogen 3.248 N/A THR 89.A N LYS 58.A O no hydrogen 3.043 N/A ILE 91.A N ILE 60.A O no hydrogen 2.844 N/A GLY 93.A N LEU 62.A O no hydrogen 2.721 N/A ALA 95.A N ALA 64.A O no hydrogen 2.978 N/A TRP 96.A N THR 65.A O no hydrogen 3.066 N/A ASN 97.A ND2 CYS 121.A O no hydrogen 3.312 N/A ASN 98.A N ALA 95.A O no hydrogen 2.641 N/A GLU 100.A N ASN 98.A OD1 no hydrogen 3.165 N/A GLN 102.A N ASN 98.A O no hydrogen 2.638 N/A ARG 103.A N LEU 99.A O no hydrogen 2.494 N/A ALA 104.A N GLU 100.A O no hydrogen 2.746 N/A TYR 105.A N LYS 101.A O no hydrogen 2.952 N/A LEU 106.A N GLN 102.A O no hydrogen 3.002 N/A SER 107.A N ARG 103.A O no hydrogen 3.079 N/A MET 108.A N ALA 104.A O no hydrogen 2.963 N/A MET 109.A N TYR 105.A O no hydrogen 2.940 N/A ALA 110.A N LEU 106.A O no hydrogen 3.000 N/A GLN 111.A N SER 107.A O no hydrogen 3.008 N/A LYS 112.A N MET 108.A O no hydrogen 2.839 N/A ARG 113.A N ALA 110.A O no hydrogen 2.565 N/A ARG 113.A NH1 ALA 110.A O no hydrogen 2.985 N/A VAL 114.A N MET 109.A O no hydrogen 3.315 N/A ASP 115.A N SER 59.A O no hydrogen 2.753 N/A LEU 117.A N PRO 139.A O no hydrogen 2.640 N/A LEU 118.A N GLY 61.A O no hydrogen 2.707 N/A VAL 119.A N VAL 141.A O no hydrogen 2.884 N/A MET 120.A N LEU 63.A O no hydrogen 3.085 N/A CYS 121.A N TYR 124.A OH no hydrogen 2.816 N/A CYS 121.A SG LEU 63.A O no hydrogen 3.734 N/A SER 122.A N ASP 144.A OD2 no hydrogen 2.927 N/A GLU 123.A N CYS 121.A O no hydrogen 2.506 N/A TYR 124.A OH ASP 144.A OD1 no hydrogen 2.618 N/A LEU 128.A N PRO 125.A O no hydrogen 2.675 N/A LEU 129.A N PRO 125.A O no hydrogen 2.829 N/A ALA 130.A N GLU 126.A O no hydrogen 2.682 N/A MET 131.A N PRO 127.A O no hydrogen 3.313 N/A LEU 132.A N LEU 128.A O no hydrogen 3.089 N/A GLU 133.A N LEU 129.A O no hydrogen 3.065 N/A GLU 134.A N ALA 130.A O no hydrogen 3.398 N/A GLU 134.A N MET 131.A O no hydrogen 2.828 N/A TYR 135.A N LEU 132.A O no hydrogen 3.078 N/A ARG 136.A N GLU 133.A O no hydrogen 2.847 N/A ILE 138.A N TYR 135.A O no hydrogen 2.639 N/A VAL 141.A N LEU 117.A O no hydrogen 2.908 N/A VAL 142.A N ASP 154.A O no hydrogen 3.106 N/A MET 143.A N VAL 119.A O no hydrogen 2.946 N/A ASP 154.A N MET 140.A O no hydrogen 3.229 N/A ALA 155.A N GLN 315.A O no hydrogen 2.848 N/A VAL 156.A N VAL 142.A O no hydrogen 3.370 N/A ILE 157.A N ILE 317.A O no hydrogen 2.579 N/A ASN 159.A ND2 GLU 318.A OE1 no hydrogen 3.389 N/A ASN 159.A ND2 VAL 319.A O no hydrogen 2.297 N/A ALA 160.A N ASP 158.A OD1 no hydrogen 3.031 N/A GLY 163.A N ASN 159.A O no hydrogen 3.168 N/A GLY 163.A N ALA 160.A O no hydrogen 3.109 N/A GLY 164.A N ALA 160.A O no hydrogen 2.904 N/A TYR 165.A N PHE 161.A O no hydrogen 3.096 N/A TYR 165.A OH GLU 204.A OE1 no hydrogen 2.297 N/A TYR 165.A OH GLU 204.A OE2 no hydrogen 2.825 N/A MET 166.A N GLU 162.A O no hydrogen 3.051 N/A ALA 167.A N GLY 163.A O no hydrogen 2.936 N/A GLY 168.A N GLY 164.A O no hydrogen 3.169 N/A ARG 169.A N TYR 165.A O no hydrogen 2.961 N/A ARG 169.A NE GLU 173.A OE2 no hydrogen 3.398 N/A ARG 169.A NH2 GLU 173.A OE2 no hydrogen 2.970 N/A TYR 170.A N MET 166.A O no hydrogen 2.990 N/A TYR 170.A OH GLU 325.A OE1 no hydrogen 2.748 N/A LEU 171.A N ALA 167.A O no hydrogen 3.166 N/A ILE 172.A N GLY 168.A O no hydrogen 2.876 N/A GLU 173.A N ARG 169.A O no hydrogen 2.728 N/A ARG 174.A N LEU 171.A O no hydrogen 3.122 N/A ARG 174.A NE TYR 170.A OH no hydrogen 3.329 N/A ARG 174.A NH1 ASP 331.A OD1 no hydrogen 2.439 N/A GLY 175.A N ILE 172.A O no hydrogen 3.162 N/A HIS 176.A N LEU 171.A O no hydrogen 3.257 N/A HIS 176.A ND1 THR 239.A OG1 no hydrogen 2.610 N/A HIS 176.A NE2 ALA 330.A O no hydrogen 2.688 N/A ARG 177.A NH2 ALA 205.A O no hydrogen 2.478 N/A GLY 180.A N ALA 240.A O no hydrogen 2.834 N/A VAL 181.A N TRP 213.A O no hydrogen 2.964 N/A ILE 182.A N PHE 242.A O no hydrogen 3.009 N/A ALA 188.A N PRO 185.A O no hydrogen 3.072 N/A ASN 189.A ND2 ASP 158.A OD1 no hydrogen 3.221 N/A GLY 191.A N ALA 188.A O no hydrogen 3.157 N/A ALA 192.A N ALA 188.A O no hydrogen 2.729 N/A GLY 193.A N ASN 189.A O no hydrogen 2.641 N/A ARG 194.A NH1 GLY 244.A O no hydrogen 2.735 N/A LEU 195.A N GLY 191.A O no hydrogen 3.239 N/A ALA 196.A N ALA 192.A O no hydrogen 3.069 N/A GLY 197.A N GLY 193.A O no hydrogen 3.096 N/A PHE 198.A N ARG 194.A O no hydrogen 2.985 N/A MET 199.A N LEU 195.A O no hydrogen 2.638 N/A LYS 200.A N ALA 196.A O no hydrogen 2.995 N/A MET 202.A N PHE 198.A O no hydrogen 3.359 N/A GLU 203.A N MET 199.A O no hydrogen 3.017 N/A GLU 204.A N LYS 200.A O no hydrogen 2.795 N/A ALA 205.A N ALA 201.A O no hydrogen 3.045 N/A ALA 205.A N MET 202.A O no hydrogen 2.759 N/A MET 206.A N GLU 203.A O no hydrogen 2.996 N/A ILE 207.A N MET 202.A O no hydrogen 2.849 N/A TRP 213.A N PRO 210.A O no hydrogen 2.591 N/A ILE 214.A N GLU 211.A O no hydrogen 3.222 N/A VAL 215.A N VAL 181.A O no hydrogen 2.831 N/A GLY 217.A N PRO 183.A O no hydrogen 2.670 N/A ASP 218.A N SER 223.A OG no hydrogen 3.033 N/A GLU 220.A N ASP 218.A OD1 no hydrogen 2.701 N/A SER 223.A OG ASP 218.A OD1 no hydrogen 2.605 N/A SER 223.A OG GLU 220.A O no hydrogen 2.462 N/A GLY 224.A N GLU 220.A O no hydrogen 3.330 N/A TYR 225.A N PRO 221.A O no hydrogen 2.993 N/A TYR 225.A OH GLU 258.A OE1 no hydrogen 2.281 N/A ARG 226.A N GLU 222.A O no hydrogen 2.921 N/A ALA 227.A N SER 223.A O no hydrogen 2.927 N/A MET 228.A N GLY 224.A O no hydrogen 2.917 N/A GLN 229.A N TYR 225.A O no hydrogen 3.129 N/A GLN 230.A N ARG 226.A O no hydrogen 2.881 N/A ILE 231.A N ALA 227.A O no hydrogen 2.756 N/A LEU 232.A N MET 228.A O no hydrogen 2.871 N/A SER 233.A N GLN 229.A O no hydrogen 2.625 N/A GLN 234.A NE2 SER 212.A O no hydrogen 3.434 N/A GLN 234.A NE2 GLN 230.A O no hydrogen 3.164 N/A HIS 236.A NE2 GLU 178.A OE2 no hydrogen 2.766 N/A ARG 237.A NE LEU 232.A O no hydrogen 3.176 N/A ARG 237.A NH2 LEU 232.A O no hydrogen 3.162 N/A THR 239.A N GLU 178.A O no hydrogen 2.702 N/A THR 239.A OG1 HIS 176.A ND1 no hydrogen 2.610 N/A THR 239.A OG1 GLU 178.A O no hydrogen 3.415 N/A ALA 240.A N GLU 178.A O no hydrogen 3.303 N/A VAL 241.A N SER 268.A O no hydrogen 2.868 N/A PHE 242.A N GLY 180.A O no hydrogen 2.783 N/A CYS 243.A N ILE 270.A O no hydrogen 2.724 N/A GLY 244.A N ILE 182.A O no hydrogen 2.866 N/A ASP 246.A N TYR 272.A O no hydrogen 2.779 N/A ALA 249.A N GLY 245.A O no hydrogen 3.025 N/A MET 250.A N ASP 246.A O no hydrogen 2.699 N/A GLY 251.A N ILE 247.A O no hydrogen 3.198 N/A ALA 252.A N MET 248.A O no hydrogen 2.798 N/A LEU 253.A N ALA 249.A O no hydrogen 2.699 N/A CYS 254.A N MET 250.A O no hydrogen 3.232 N/A CYS 254.A SG GLU 258.A OE2 no hydrogen 3.596 N/A ALA 255.A N GLY 251.A O no hydrogen 3.301 N/A ALA 256.A N ALA 252.A O no hydrogen 3.258 N/A ASP 257.A N LEU 253.A O no hydrogen 3.109 N/A GLU 258.A N CYS 254.A O no hydrogen 2.808 N/A MET 259.A N ALA 255.A O no hydrogen 2.920 N/A MET 259.A N ALA 256.A O no hydrogen 2.864 N/A GLY 260.A N ASP 257.A O no hydrogen 2.882 N/A LEU 261.A N ALA 256.A O no hydrogen 2.871 N/A ARG 262.A N ASP 266.A OD2 no hydrogen 2.379 N/A GLN 265.A N GLN 265.A OE1 no hydrogen 2.861 N/A ASP 266.A N ARG 262.A O no hydrogen 2.287 N/A VAL 267.A N ARG 262.A O no hydrogen 3.052 N/A SER 268.A N THR 239.A O no hydrogen 3.107 N/A SER 268.A OG ALA 330.A O no hydrogen 3.431 N/A LEU 269.A N SER 328.A O no hydrogen 2.818 N/A ILE 270.A N VAL 241.A O no hydrogen 2.923 N/A GLY 271.A N THR 286.A O no hydrogen 3.019 N/A TYR 272.A N ASP 246.A OD1 no hydrogen 2.716 N/A ASP 273.A N ILE 288.A O no hydrogen 2.672 N/A VAL 275.A N ASP 246.A OD2 no hydrogen 3.072 N/A ARG 276.A N GLU 74.A OE2 no hydrogen 2.781 N/A ALA 278.A N VAL 275.A O no hydrogen 2.874 N/A ARG 279.A NH1 ARG 279.A O no hydrogen 2.278 N/A TYR 280.A N ASN 277.A O no hydrogen 2.917 N/A PHE 281.A N ALA 278.A O no hydrogen 2.875 N/A LEU 285.A N ALA 278.A O no hydrogen 3.238 N/A THR 286.A N SER 328.A OG no hydrogen 3.047 N/A THR 287.A N ILE 324.A O no hydrogen 3.008 N/A THR 287.A OG1 ASP 246.A OD1 no hydrogen 2.810 N/A THR 287.A OG1 ILE 288.A O no hydrogen 3.505 N/A HIS 289.A N ARG 322.A O no hydrogen 2.536 N/A GLN 290.A N ASP 273.A O no hydrogen 3.173 N/A LYS 292.A NZ GLU 74.A OE1 no hydrogen 3.400 N/A LYS 292.A NZ ASN 274.A O no hydrogen 2.922 N/A LYS 292.A NZ GLN 290.A O no hydrogen 3.409 N/A GLY 296.A N LYS 292.A O no hydrogen 2.894 N/A GLU 297.A N ASP 293.A O no hydrogen 3.084 N/A THR 298.A N SER 294.A O no hydrogen 2.958 N/A THR 298.A OG1 SER 294.A O no hydrogen 3.072 N/A ALA 299.A N LEU 295.A O no hydrogen 3.304 N/A PHE 300.A N GLY 296.A O no hydrogen 2.924 N/A ASN 301.A N GLU 297.A O no hydrogen 2.973 N/A MET 302.A N THR 298.A O no hydrogen 3.184 N/A LEU 303.A N ALA 299.A O no hydrogen 3.114 N/A LEU 304.A N PHE 300.A O no hydrogen 3.036 N/A ASP 305.A N ASN 301.A O no hydrogen 3.130 N/A ARG 306.A N MET 302.A O no hydrogen 3.023 N/A ARG 306.A NE ASP 154.A OD1 no hydrogen 3.239 N/A ARG 306.A NE ASP 154.A OD2 no hydrogen 3.337 N/A ARG 306.A NH2 ASP 154.A OD1 no hydrogen 3.432 N/A ILE 307.A N LEU 303.A O no hydrogen 2.675 N/A VAL 308.A N LEU 304.A O no hydrogen 2.380 N/A LYS 310.A N VAL 308.A O no hydrogen 2.487 N/A ARG 311.A NE ASP 305.A OD2 no hydrogen 2.569 N/A ARG 311.A NH1 ASP 154.A OD1 no hydrogen 3.234 N/A ARG 311.A NH1 ASP 154.A OD2 no hydrogen 3.061 N/A ARG 311.A NH1 GLU 313.A O no hydrogen 2.351 N/A ARG 311.A NH2 ASP 154.A OD2 no hydrogen 2.567 N/A ARG 311.A NH2 ASP 305.A OD2 no hydrogen 3.156 N/A GLU 313.A N GLU 313.A OE1 no hydrogen 3.157 N/A GLN 315.A N ASP 154.A OD1 no hydrogen 2.687 N/A ILE 317.A N ALA 155.A O no hydrogen 2.788 N/A VAL 319.A N ILE 157.A O no hydrogen 2.563 N/A HIS 320.A ND1 GLU 162.A OE2 no hydrogen 2.394 N/A ARG 322.A N HIS 289.A O no hydrogen 3.047 N/A ILE 324.A N THR 287.A O no hydrogen 2.726 N/A ARG 326.A N THR 286.A OG1 no hydrogen 2.430 N/A ARG 326.A NE LEU 285.A O no hydrogen 2.546 N/A ARG 326.A NH2 ASN 274.A OD1 no hydrogen 2.819 N/A ARG 326.A NH2 LEU 285.A O no hydrogen 3.210 N/A ARG 327.A N ALA 284.A O no hydrogen 2.622 N/A SER 328.A OG LEU 269.A O no hydrogen 2.564 N/A ALA 330.A N SER 268.A OG no hydrogen 2.701 N/A GLY 332.A N ARG 174.A O no hydrogen 2.442 N/A PHE 334.A N GLY 175.A O no hydrogen 2.799 N/A ARG 335.A N GLY 332.A O no hydrogen 3.052 N/A TYR 337.A N PHE 334.A O no hydrogen 3.043 N/A