Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a9g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N VAL 334.A O no hydrogen 2.794 N/A SER 7.A N LYS 332.A O no hydrogen 3.095 N/A VAL 9.A N ILE 330.A O no hydrogen 2.729 N/A ALA 10.A N ILE 330.A O no hydrogen 3.389 N/A ASP 12.A N GLY 326.A O no hydrogen 2.633 N/A LEU 13.A N ASP 328.A O no hydrogen 2.912 N/A GLU 14.A N GLU 31.A OE2 no hydrogen 2.663 N/A VAL 15.A N ASP 328.A OD1 no hydrogen 3.258 N/A TRP 17.A N THR 30.A O no hydrogen 2.862 N/A ILE 19.A N ASP 301.A OD2 no hydrogen 3.110 N/A ALA 20.A N LEU 28.A O no hydrogen 2.791 N/A LEU 22.A N ARG 26.A O no hydrogen 2.856 N/A GLY 24.A N ASP 306.A OD2 no hydrogen 3.429 N/A ARG 26.A N GLY 23.A O no hydrogen 3.444 N/A TYR 27.A N ILE 39.A O no hydrogen 2.687 N/A TYR 27.A OH ASP 305.A OD2 no hydrogen 2.532 N/A LEU 28.A N ALA 20.A O no hydrogen 2.936 N/A VAL 29.A N VAL 37.A O no hydrogen 2.922 N/A THR 30.A N SER 18.A O no hydrogen 3.164 N/A THR 30.A OG1 LEU 61.A O no hydrogen 2.698 N/A GLU 31.A N ARG 35.A O no hydrogen 2.810 N/A ARG 32.A N VAL 15.A O no hydrogen 3.079 N/A ARG 32.A NH1 ASP 318.A O no hydrogen 3.513 N/A GLY 34.A N GLU 31.A O no hydrogen 3.008 N/A ARG 35.A N GLU 31.A O no hydrogen 3.254 N/A ARG 35.A NH1 GLU 31.A OE2 no hydrogen 3.328 N/A LEU 36.A N ALA 48.A O no hydrogen 2.859 N/A VAL 37.A N VAL 29.A O no hydrogen 2.793 N/A LEU 38.A N LYS 45.A O no hydrogen 2.608 N/A ILE 39.A N TYR 27.A O no hydrogen 2.679 N/A SER 40.A N GLY 43.A O no hydrogen 2.784 N/A SER 40.A OG GLY 43.A O no hydrogen 3.040 N/A GLY 43.A N SER 40.A OG no hydrogen 3.295 N/A LYS 44.A NZ SER 11.A O no hydrogen 3.079 N/A LYS 45.A N LEU 38.A O no hydrogen 2.731 N/A VAL 47.A N LEU 36.A O no hydrogen 2.805 N/A ALA 48.A N LEU 36.A O no hydrogen 3.286 N/A PHE 50.A N GLY 34.A O no hydrogen 2.720 N/A ALA 53.A N SER 80.A O no hydrogen 2.962 N/A GLU 57.A N TYR 118.A O no hydrogen 2.750 N/A ALA 58.A N VAL 55.A O no hydrogen 2.826 N/A GLY 59.A N SER 80.A OG no hydrogen 3.184 N/A LEU 60.A N ARG 32.A O no hydrogen 2.719 N/A LEU 61.A N TYR 78.A O no hydrogen 2.799 N/A ALA 64.A N TYR 76.A O no hydrogen 2.966 N/A HIS 66.A N TRP 74.A O no hydrogen 2.896 N/A HIS 66.A NE2 GLU 161.A OE2 no hydrogen 2.851 N/A GLU 68.A N HIS 66.A ND1 no hydrogen 2.985 N/A PHE 69.A N HIS 66.A O no hydrogen 2.914 N/A LYS 72.A N GLU 68.A O no hydrogen 2.754 N/A SER 73.A OG LEU 97.A O no hydrogen 2.539 N/A VAL 75.A N GLY 95.A O no hydrogen 3.003 N/A TYR 76.A N ALA 64.A O no hydrogen 2.832 N/A TYR 76.A OH GLU 161.A O no hydrogen 2.711 N/A LEU 77.A N ILE 93.A O no hydrogen 2.995 N/A TYR 78.A N GLY 62.A O no hydrogen 3.055 N/A TYR 78.A OH ASN 121.A O no hydrogen 2.668 N/A ALA 79.A N ARG 91.A O no hydrogen 2.916 N/A SER 80.A N GLY 59.A O no hydrogen 2.884 N/A SER 80.A OG GLY 59.A O no hydrogen 3.453 N/A SER 80.A OG ASN 90.A OD1 no hydrogen 2.623 N/A TYR 81.A N ARG 89.A O no hydrogen 2.846 N/A ALA 83.A N HIS 87.A O no hydrogen 2.679 N/A GLY 86.A N ALA 83.A O no hydrogen 2.926 N/A ARG 89.A N TYR 81.A O no hydrogen 2.945 N/A ASN 90.A N ILE 114.A O no hydrogen 2.812 N/A ASN 90.A ND2 PRO 115.A O no hydrogen 3.153 N/A ASN 90.A ND2 ASN 121.A OD1 no hydrogen 2.888 N/A ARG 91.A N ALA 79.A O no hydrogen 2.954 N/A VAL 92.A N ILE 111.A O no hydrogen 2.884 N/A ILE 93.A N LEU 77.A O no hydrogen 2.867 N/A ARG 94.A N LYS 108.A O no hydrogen 2.810 N/A ARG 94.A NH1 GLU 161.A O no hydrogen 2.916 N/A ARG 94.A NH1 GLU 162.A OE2 no hydrogen 3.002 N/A ARG 94.A NH2 GLU 162.A OE2 no hydrogen 3.324 N/A GLY 95.A N VAL 75.A O no hydrogen 3.061 N/A ARG 96.A N LYS 105.A O no hydrogen 2.698 N/A ARG 96.A NH1 GLU 106.A OE1 no hydrogen 3.092 N/A LEU 97.A N SER 73.A O no hydrogen 2.803 N/A ASP 98.A N LYS 103.A O no hydrogen 2.848 N/A LYS 105.A N ARG 96.A O no hydrogen 2.783 N/A LYS 108.A N ARG 94.A O no hydrogen 2.886 N/A LYS 108.A NZ GLU 162.A OE2 no hydrogen 3.430 N/A LEU 110.A N VAL 92.A O no hydrogen 2.772 N/A ILE 111.A N VAL 92.A O no hydrogen 3.239 N/A GLY 113.A N TYR 81.A OH no hydrogen 2.961 N/A ILE 114.A N ASN 90.A O no hydrogen 3.158 N/A ALA 117.A N ASN 121.A OD1 no hydrogen 3.130 N/A HIS 120.A N GLU 57.A OE1 no hydrogen 3.160 N/A HIS 120.A ND1 ASP 139.A OD2 no hydrogen 2.804 N/A ASN 121.A ND2 ALA 117.A O no hydrogen 2.815 N/A GLY 122.A N ASN 183.A OD1 no hydrogen 3.043 N/A GLY 123.A N THR 136.A O no hydrogen 2.807 N/A ARG 124.A N THR 136.A OG1 no hydrogen 3.084 N/A ARG 124.A NE GLN 185.A O no hydrogen 2.737 N/A ARG 124.A NH1 TRP 17.A O no hydrogen 2.913 N/A ARG 124.A NH2 GLN 185.A O no hydrogen 3.334 N/A ARG 126.A N TYR 134.A O no hydrogen 3.023 N/A ARG 126.A NH1 ILE 187.A O no hydrogen 2.770 N/A ARG 126.A NH1 ALA 249.A O no hydrogen 2.888 N/A ARG 126.A NH1 SER 250.A OG no hydrogen 3.304 N/A ARG 126.A NH2 SER 250.A OG no hydrogen 2.972 N/A GLY 128.A N MET 132.A O no hydrogen 2.949 N/A GLY 131.A N GLY 128.A O no hydrogen 2.970 N/A MET 132.A N ASP 130.A OD1 no hydrogen 2.981 N/A LEU 133.A N VAL 159.A O no hydrogen 2.874 N/A TYR 134.A N ARG 126.A O no hydrogen 2.908 N/A TYR 134.A OH ASP 130.A OD2 no hydrogen 2.659 N/A ILE 135.A N LEU 157.A O no hydrogen 3.059 N/A THR 136.A N ARG 124.A O no hydrogen 2.991 N/A THR 136.A OG1 PRO 184.A O no hydrogen 2.612 N/A THR 137.A N LYS 155.A O no hydrogen 2.933 N/A THR 137.A OG1 LEU 152.A O no hydrogen 2.642 N/A THR 137.A OG1 LYS 155.A O no hydrogen 3.567 N/A ASP 139.A N ARG 182.A O no hydrogen 2.881 N/A ALA 140.A N HIS 120.A O no hydrogen 3.045 N/A ALA 141.A N ASP 139.A OD2 no hydrogen 3.004 N/A ASP 142.A N ASP 139.A O no hydrogen 2.728 N/A LEU 145.A N ASP 142.A O no hydrogen 3.019 N/A ALA 146.A N PRO 143.A O no hydrogen 3.033 N/A GLN 147.A N ARG 144.A O no hydrogen 3.332 N/A ASP 148.A N LEU 145.A O no hydrogen 3.082 N/A SER 150.A N ASP 148.A OD1 no hydrogen 2.844 N/A SER 150.A OG ASP 148.A OD1 no hydrogen 2.667 N/A SER 151.A N ASP 148.A O no hydrogen 3.117 N/A ALA 153.A N SER 151.A OG no hydrogen 3.366 N/A GLY 154.A N GLY 138.A O no hydrogen 2.961 N/A LYS 155.A N THR 137.A OG1 no hydrogen 3.069 N/A LYS 155.A NZ ALA 146.A O no hydrogen 3.312 N/A LYS 155.A NZ ASP 148.A O no hydrogen 2.874 N/A LYS 155.A NZ SER 151.A O no hydrogen 2.923 N/A LYS 155.A NZ ALA 153.A O no hydrogen 2.779 N/A ILE 156.A N SER 178.A O no hydrogen 3.054 N/A LEU 157.A N ILE 135.A O no hydrogen 2.756 N/A ARG 158.A N PRO 175.A O no hydrogen 2.750 N/A ARG 158.A NE ASP 130.A OD2 no hydrogen 3.279 N/A ARG 158.A NH1 ASP 168.A OD1 no hydrogen 3.203 N/A ARG 158.A NH2 ASP 130.A OD2 no hydrogen 2.884 N/A VAL 159.A N LEU 133.A O no hydrogen 2.901 N/A ASP 160.A N ARG 164.A O no hydrogen 2.798 N/A GLU 162.A N ASP 160.A OD1 no hydrogen 2.851 N/A GLY 163.A N ASP 160.A O no hydrogen 3.019 N/A ARG 164.A N ASP 160.A OD1 no hydrogen 3.029 N/A ASN 169.A N PRO 166.A O no hydrogen 3.047 N/A ILE 176.A N SER 174.A OG no hydrogen 3.273 N/A TRP 177.A N ILE 156.A O no hydrogen 2.777 N/A SER 178.A N ILE 156.A O no hydrogen 3.136 N/A SER 178.A OG HIS 181.A NE2 no hydrogen 2.872 N/A TYR 179.A N GLY 216.A O no hydrogen 2.951 N/A GLY 180.A N ALA 146.A O no hydrogen 3.101 N/A HIS 181.A N GLY 154.A O no hydrogen 3.016 N/A HIS 181.A ND1 GLU 200.A OE1 no hydrogen 2.916 N/A HIS 181.A NE2 SER 178.A OG no hydrogen 2.872 N/A ARG 182.A N GLU 200.A OE2 no hydrogen 2.947 N/A ARG 182.A NH1 HIS 201.A O no hydrogen 3.131 N/A ASP 188.A N VAL 197.A O no hydrogen 3.152 N/A TRP 189.A N ASP 188.A OD1 no hydrogen 2.799 N/A HIS 190.A N VAL 195.A O no hydrogen 2.841 N/A SER 193.A N HIS 190.A ND1 no hydrogen 3.175 N/A SER 193.A OG HIS 190.A ND1 no hydrogen 2.777 N/A GLY 194.A N HIS 190.A O no hydrogen 2.710 N/A VAL 197.A N ASP 188.A O no hydrogen 2.785 N/A ALA 198.A N ASN 210.A O no hydrogen 2.873 N/A THR 199.A N GLY 186.A O no hydrogen 2.810 N/A THR 199.A OG1 SER 247.A O no hydrogen 2.811 N/A GLU 200.A N GLU 208.A O no hydrogen 3.006 N/A HIS 201.A N ASN 183.A O no hydrogen 3.281 N/A HIS 201.A NE2 GLN 185.A OE1 no hydrogen 2.852 N/A GLY 202.A N ASP 207.A OD1 no hydrogen 2.771 N/A HIS 206.A N GLY 240.A O no hydrogen 2.781 N/A ASP 207.A N THR 239.A OG1 no hydrogen 3.054 N/A GLU 208.A N GLU 200.A O no hydrogen 3.040 N/A VAL 209.A N ILE 237.A O no hydrogen 3.195 N/A ASN 210.A N ALA 198.A O no hydrogen 2.783 N/A ASN 210.A ND2 GLU 208.A OE1 no hydrogen 3.450 N/A ILE 212.A N MET 196.A O no hydrogen 2.809 N/A LEU 213.A N TYR 218.A OH no hydrogen 2.790 N/A LYS 214.A NZ ASP 168.A O no hydrogen 2.856 N/A GLY 215.A N TRP 177.A O no hydrogen 2.625 N/A GLY 216.A N LEU 213.A O no hydrogen 3.140 N/A TYR 218.A N TYR 179.A O no hydrogen 2.792 N/A TYR 218.A OH ILE 211.A O no hydrogen 2.624 N/A GLY 219.A N ASN 217.A OD1 no hydrogen 2.837 N/A TRP 220.A N GLY 180.A O no hydrogen 3.061 N/A TRP 220.A NE1 ASP 139.A OD1 no hydrogen 2.868 N/A LEU 222.A N GLY 219.A O no hydrogen 2.713 N/A ALA 223.A N GLY 219.A O no hydrogen 2.745 N/A GLY 225.A N GLU 208.A OE2 no hydrogen 3.026 N/A LYS 226.A N ASP 238.A OD1 no hydrogen 3.025 N/A ALA 227.A N ASP 234.A OD1 no hydrogen 2.945 N/A GLY 228.A N ASP 234.A OD2 no hydrogen 2.804 N/A GLU 231.A N GLU 231.A OE2 no hydrogen 2.610 N/A PHE 232.A N ARG 229.A O no hydrogen 3.398 N/A VAL 233.A N ASN 217.A O no hydrogen 2.750 N/A VAL 236.A N VAL 209.A O no hydrogen 2.876 N/A ILE 237.A N VAL 209.A O no hydrogen 3.450 N/A THR 239.A N ASP 207.A O no hydrogen 3.095 N/A THR 239.A OG1 GLU 242.A O no hydrogen 2.532 N/A GLY 240.A N ASP 238.A OD2 no hydrogen 2.971 N/A GLU 242.A N THR 239.A O no hydrogen 3.023 N/A THR 243.A OG1 VAL 204.A O no hydrogen 2.865 N/A TRP 244.A N ASP 207.A OD2 no hydrogen 2.877 N/A ALA 245.A N ASP 207.A OD2 no hydrogen 3.069 N/A SER 247.A N ALA 267.A O no hydrogen 2.786 N/A GLY 248.A N ARG 300.A O no hydrogen 2.891 N/A SER 250.A N LEU 265.A O no hydrogen 2.912 N/A SER 250.A OG VAL 302.A O no hydrogen 2.527 N/A PHE 251.A N ASP 188.A OD2 no hydrogen 2.739 N/A VAL 252.A N TRP 263.A O no hydrogen 2.825 N/A LEU 260.A N PHE 257.A O no hydrogen 3.235 N/A ARG 261.A N PRO 258.A O no hydrogen 3.381 N/A GLY 262.A N VAL 252.A O no hydrogen 3.092 N/A TRP 263.A N LEU 260.A O no hydrogen 2.937 N/A LEU 264.A N VAL 277.A O no hydrogen 2.707 N/A LEU 265.A N SER 250.A O no hydrogen 2.794 N/A ILE 266.A N ALA 275.A O no hydrogen 2.863 N/A ALA 267.A N GLY 248.A O no hydrogen 2.993 N/A CYS 268.A N MET 273.A O no hydrogen 3.075 N/A CYS 268.A SG ILE 266.A O no hydrogen 3.801 N/A LEU 269.A N ALA 245.A O no hydrogen 2.801 N/A GLY 271.A N TRP 244.A O no hydrogen 2.909 N/A SER 272.A N CYS 268.A O no hydrogen 3.154 N/A SER 272.A OG LEU 269.A O no hydrogen 3.183 N/A SER 272.A OG ARG 270.A O no hydrogen 3.350 N/A LEU 274.A N PHE 291.A O no hydrogen 2.820 N/A ALA 275.A N ILE 266.A O no hydrogen 2.958 N/A ALA 276.A N SER 289.A O no hydrogen 2.654 N/A VAL 277.A N LEU 264.A O no hydrogen 2.822 N/A ASN 278.A N LYS 287.A O no hydrogen 2.868 N/A GLY 280.A N GLU 284.A O no hydrogen 2.676 N/A ARG 286.A N ASN 278.A O no hydrogen 2.741 N/A LYS 287.A N ASN 278.A O no hydrogen 3.459 N/A SER 289.A N ALA 276.A O no hydrogen 2.765 N/A PHE 291.A N LEU 274.A O no hydrogen 2.813 N/A LYS 293.A NZ GLY 271.A O no hydrogen 2.690 N/A ASN 294.A N SER 272.A O no hydrogen 2.929 N/A VAL 295.A N PHE 292.A O no hydrogen 3.299 N/A ARG 298.A NE SER 315.A O no hydrogen 3.174 N/A ARG 298.A NE ASP 318.A OD2 no hydrogen 3.098 N/A ARG 298.A NH2 ASP 318.A OD2 no hydrogen 2.827 N/A LEU 299.A N CYS 268.A O no hydrogen 2.999 N/A ARG 300.A N SER 313.A O no hydrogen 2.905 N/A ARG 300.A NE SER 315.A OG no hydrogen 2.990 N/A ARG 300.A NH2 SER 315.A OG no hydrogen 3.168 N/A ARG 300.A NH2 ASP 318.A OD2 no hydrogen 2.867 N/A VAL 302.A N ASP 301.A OD1 no hydrogen 3.066 N/A VAL 303.A N LEU 311.A O no hydrogen 2.961 N/A ASP 305.A N GLY 309.A O no hydrogen 2.763 N/A ASP 306.A N ASP 305.A OD1 no hydrogen 2.844 N/A GLY 308.A N ASP 305.A O no hydrogen 3.069 N/A GLY 309.A N ASP 307.A OD1 no hydrogen 2.755 N/A ILE 310.A N ILE 333.A O no hydrogen 2.975 N/A LEU 311.A N VAL 303.A O no hydrogen 2.783 N/A ILE 312.A N LEU 331.A O no hydrogen 2.947 N/A SER 313.A N ASP 301.A O no hydrogen 3.118 N/A THR 314.A N LYS 329.A O no hydrogen 3.005 N/A THR 314.A OG1 ASP 327.A OD1 no hydrogen 3.525 N/A THR 314.A OG1 ASP 328.A OD2 no hydrogen 3.046 N/A SER 315.A N ARG 298.A O no hydrogen 2.763 N/A SER 315.A OG ASP 318.A OD2 no hydrogen 2.737 N/A ASN 316.A N ASP 328.A OD2 no hydrogen 2.760 N/A ARG 317.A N ASP 328.A OD1 no hydrogen 3.179 N/A ARG 317.A NH1 ASP 327.A O no hydrogen 3.401 N/A ARG 320.A N ASP 318.A OD1 no hydrogen 2.927 N/A ARG 324.A N ASP 327.A OD2 no hydrogen 2.716 N/A ASP 327.A N ARG 324.A O no hydrogen 3.095 N/A ASP 328.A N LEU 13.A O no hydrogen 2.837 N/A LYS 329.A N THR 314.A OG1 no hydrogen 2.857 N/A LYS 329.A NZ GLU 8.A OE1 no hydrogen 3.481 N/A LYS 329.A NZ ALA 325.A O no hydrogen 2.378 N/A ILE 330.A N ALA 10.A O no hydrogen 3.101 N/A LEU 331.A N ILE 312.A O no hydrogen 2.753 N/A LYS 332.A N SER 7.A O no hydrogen 2.898 N/A LYS 332.A NZ ASP 305.A OD2 no hydrogen 2.918 N/A LYS 332.A NZ ASP 307.A OD2 no hydrogen 2.692 N/A ILE 333.A N ILE 310.A O no hydrogen 2.772 N/A VAL 334.A N LYS 5.A O no hydrogen 2.917 N/A