Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f8d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N GLU 5.A OE1 no hydrogen 3.373 N/A GLY 4.A N GLU 100.A O no hydrogen 2.768 N/A GLU 5.A N LYS 2.A O no hydrogen 3.096 N/A LYS 6.A NZ GLU 90.A OE1 no hydrogen 2.971 N/A LYS 6.A NZ ASP 104.A OD1 no hydrogen 2.915 N/A PHE 7.A N LYS 102.A O no hydrogen 2.909 N/A ASP 8.A N LYS 31.A O no hydrogen 2.787 N/A VAL 9.A N LYS 31.A O no hydrogen 3.171 N/A ILE 10.A N SER 105.A O no hydrogen 3.011 N/A ILE 11.A N LEU 33.A O no hydrogen 2.817 N/A VAL 12.A N ILE 107.A O no hydrogen 2.823 N/A GLY 13.A N ILE 35.A O no hydrogen 2.771 N/A TYR 19.A N GLY 15.A O no hydrogen 2.958 N/A GLY 20.A N PRO 16.A O no hydrogen 2.886 N/A ALA 21.A N ALA 17.A O no hydrogen 2.865 N/A ALA 22.A N ALA 18.A O no hydrogen 2.792 N/A LEU 23.A N TYR 19.A O no hydrogen 2.967 N/A TYR 24.A N GLY 20.A O no hydrogen 3.435 N/A SER 25.A N ALA 21.A O no hydrogen 2.800 N/A SER 25.A OG ALA 21.A O no hydrogen 2.812 N/A ALA 26.A N ALA 22.A O no hydrogen 2.892 N/A ARG 27.A N LEU 23.A O no hydrogen 3.092 N/A ARG 27.A NH1 TYR 74.A OH no hydrogen 2.871 N/A TYR 28.A N TYR 24.A O no hydrogen 2.910 N/A TYR 28.A N SER 25.A O no hydrogen 3.157 N/A TYR 28.A OH THR 299.A OG1 no hydrogen 2.694 N/A MET 29.A N ALA 26.A O no hydrogen 2.863 N/A LEU 30.A N SER 25.A O no hydrogen 3.064 N/A LYS 31.A N ASP 8.A OD2 no hydrogen 2.796 N/A LYS 31.A NZ GLU 5.A OE2 no hydrogen 3.089 N/A LYS 31.A NZ LYS 6.A O no hydrogen 2.751 N/A THR 32.A OG1 LEU 30.A O no hydrogen 2.818 N/A LEU 33.A N VAL 9.A O no hydrogen 3.043 N/A VAL 34.A N PRO 77.A O no hydrogen 3.003 N/A ILE 35.A N ILE 11.A O no hydrogen 2.846 N/A GLY 36.A N LEU 79.A O no hydrogen 3.002 N/A GLY 40.A N LEU 14.A O no hydrogen 2.672 N/A GLY 41.A N THR 38.A O no hydrogen 3.028 N/A GLN 42.A NE2 ASP 276.A OD2 no hydrogen 2.749 N/A LEU 43.A N GLY 40.A O no hydrogen 2.976 N/A THR 44.A N GLY 41.A O no hydrogen 3.008 N/A THR 44.A OG1 GLY 41.A O no hydrogen 3.022 N/A GLU 45.A N GLN 42.A O no hydrogen 2.986 N/A ALA 46.A N LEU 43.A O no hydrogen 3.099 N/A VAL 49.A N ILE 58.A O no hydrogen 2.789 N/A LEU 55.A N TYR 52.A O no hydrogen 3.048 N/A GLU 57.A N ASP 50.A OD1 no hydrogen 2.822 N/A ILE 58.A N VAL 49.A O no hydrogen 3.087 N/A ALA 60.A N GLY 47.A O no hydrogen 2.715 N/A MET 63.A N GLN 59.A O no hydrogen 2.926 N/A ILE 64.A N ALA 60.A O no hydrogen 2.932 N/A LYS 65.A N SER 61.A O no hydrogen 3.135 N/A VAL 66.A N ASP 62.A O no hydrogen 2.920 N/A PHE 67.A N MET 63.A O no hydrogen 2.893 N/A ASN 68.A N ILE 64.A O no hydrogen 2.955 N/A LYS 69.A N LYS 65.A O no hydrogen 2.977 N/A HIS 70.A N VAL 66.A O no hydrogen 2.911 N/A ILE 71.A N PHE 67.A O no hydrogen 3.197 N/A GLU 72.A N ASN 68.A O no hydrogen 2.882 N/A LYS 73.A N LYS 69.A O no hydrogen 2.989 N/A TYR 74.A N ILE 71.A O no hydrogen 3.073 N/A GLU 75.A N GLU 72.A O no hydrogen 2.947 N/A VAL 76.A N ILE 71.A O no hydrogen 3.513 N/A LEU 79.A N VAL 34.A O no hydrogen 2.788 N/A ASP 81.A N GLY 36.A O no hydrogen 3.190 N/A GLU 84.A N LYS 94.A O no hydrogen 2.750 N/A LYS 85.A N LYS 94.A O no hydrogen 3.291 N/A LYS 85.A NZ SER 247.A O no hydrogen 2.823 N/A LYS 85.A NZ SER 247.A OG no hydrogen 2.657 N/A ILE 86.A N ASN 248.A OD1 no hydrogen 2.742 N/A GLU 87.A N VAL 92.A O no hydrogen 2.805 N/A ARG 89.A N GLU 90.A O no hydrogen 2.809 N/A PHE 91.A N ALA 103.A O no hydrogen 2.825 N/A VAL 92.A N GLU 87.A O no hydrogen 2.731 N/A VAL 93.A N PHE 101.A O no hydrogen 2.766 N/A LYS 94.A N LYS 85.A O no hydrogen 2.828 N/A LYS 94.A NZ GLU 87.A OE1 no hydrogen 3.093 N/A LYS 94.A NZ GLU 87.A OE2 no hydrogen 3.031 N/A THR 95.A N GLY 99.A O no hydrogen 2.896 N/A THR 95.A OG1 ASP 81.A OD2 no hydrogen 3.091 N/A THR 95.A OG1 GLY 99.A O no hydrogen 2.745 N/A LYS 96.A N ILE 82.A O no hydrogen 2.852 N/A ARG 97.A N ASP 81.A OD2 no hydrogen 2.728 N/A LYS 98.A N ASP 81.A OD2 no hydrogen 2.997 N/A LYS 98.A N THR 95.A OG1 no hydrogen 3.089 N/A LYS 98.A NZ LEU 80.A O no hydrogen 2.770 N/A PHE 101.A N VAL 93.A O no hydrogen 2.883 N/A LYS 102.A N GLU 5.A O no hydrogen 2.956 N/A ALA 103.A N PHE 91.A O no hydrogen 2.879 N/A ASP 104.A N PHE 7.A O no hydrogen 3.068 N/A SER 105.A OG ASP 8.A O no hydrogen 2.889 N/A VAL 106.A N GLY 270.A O no hydrogen 2.983 N/A ILE 107.A N ILE 10.A O no hydrogen 2.887 N/A LEU 108.A N PHE 272.A O no hydrogen 2.785 N/A GLY 109.A N VAL 12.A O no hydrogen 2.731 N/A LYS 113.A N ASP 239.A O no hydrogen 3.146 N/A ARG 114.A NE GLU 45.A OE1 no hydrogen 2.811 N/A ARG 114.A NH2 GLU 45.A OE1 no hydrogen 3.547 N/A ARG 114.A NH2 GLU 45.A OE2 no hydrogen 2.771 N/A ARG 115.A N GLY 237.A O no hydrogen 2.980 N/A ARG 115.A NE ASP 239.A OD1 no hydrogen 2.990 N/A ARG 115.A NH1 ILE 236.A O no hydrogen 3.032 N/A GLY 118.A N GLU 122.A OE1 no hydrogen 2.777 N/A VAL 119.A N GLU 122.A OE1 no hydrogen 3.098 N/A GLU 122.A N VAL 119.A O no hydrogen 3.058 N/A PHE 125.A N GLY 121.A O no hydrogen 2.913 N/A ALA 126.A N GLN 123.A O no hydrogen 3.266 N/A ARG 128.A N PHE 125.A O no hydrogen 2.807 N/A ARG 128.A NE LYS 209.A O no hydrogen 3.053 N/A SER 131.A N VAL 232.A O no hydrogen 2.890 N/A SER 131.A OG CYS 133.A O no hydrogen 3.275 N/A SER 131.A OG ASP 137.A OD2 no hydrogen 2.705 N/A TYR 132.A OH GLU 122.A OE2 no hydrogen 2.480 N/A CYS 133.A N SER 131.A OG no hydrogen 2.969 N/A SER 134.A N GLU 235.A OE2 no hydrogen 2.795 N/A SER 134.A OG GLU 235.A OE2 no hydrogen 2.790 N/A ASP 137.A N CYS 133.A O no hydrogen 3.032 N/A ALA 138.A N SER 134.A O no hydrogen 2.783 N/A LEU 140.A N ASP 137.A O no hydrogen 2.806 N/A PHE 141.A N ALA 138.A O no hydrogen 2.893 N/A ASN 143.A N TYR 165.A O no hydrogen 2.915 N/A ARG 144.A N PHE 141.A O no hydrogen 3.176 N/A VAL 146.A N LYS 168.A O no hydrogen 2.938 N/A ALA 147.A N GLY 231.A O no hydrogen 2.966 N/A VAL 148.A N TYR 170.A O no hydrogen 2.806 N/A ILE 149.A N PHE 233.A O no hydrogen 2.815 N/A GLY 150.A N ILE 172.A O no hydrogen 2.893 N/A LEU 156.A N GLY 152.A O no hydrogen 2.998 N/A GLU 157.A N ASP 153.A O no hydrogen 2.840 N/A GLY 158.A N SER 154.A O no hydrogen 2.890 N/A ALA 159.A N ALA 155.A O no hydrogen 2.841 N/A GLU 160.A N LEU 156.A O no hydrogen 2.936 N/A ILE 161.A N GLU 157.A O no hydrogen 3.076 N/A LEU 162.A N GLY 158.A O no hydrogen 2.885 N/A SER 163.A N ALA 159.A O no hydrogen 2.765 N/A SER 163.A OG GLU 160.A O no hydrogen 2.651 N/A SER 164.A N GLU 160.A O no hydrogen 3.355 N/A SER 164.A N ILE 161.A O no hydrogen 3.036 N/A SER 164.A OG GLU 160.A O no hydrogen 3.556 N/A TYR 165.A N ILE 161.A O no hydrogen 3.289 N/A SER 166.A N LEU 162.A O no hydrogen 2.692 N/A SER 166.A OG PHE 141.A O no hydrogen 3.075 N/A SER 166.A OG LEU 162.A O no hydrogen 3.285 N/A THR 167.A N ARG 144.A O no hydrogen 2.751 N/A LYS 168.A NZ TYR 170.A OH no hydrogen 2.967 N/A LYS 168.A NZ GLU 195.A OE1 no hydrogen 2.807 N/A VAL 169.A N ASN 193.A O no hydrogen 2.847 N/A TYR 170.A N VAL 146.A O no hydrogen 2.905 N/A LEU 171.A N GLU 195.A O no hydrogen 2.864 N/A ILE 172.A N VAL 148.A O no hydrogen 2.736 N/A HIS 173.A N VAL 197.A O no hydrogen 3.068 N/A LYS 179.A N GLY 151.A O no hydrogen 2.901 N/A ALA 180.A N GLY 151.A O no hydrogen 3.127 N/A GLN 181.A N ASP 153.A OD1 no hydrogen 2.907 N/A GLN 181.A NE2 ASP 153.A OD2 no hydrogen 3.233 N/A TYR 184.A N GLN 181.A O no hydrogen 2.997 N/A VAL 185.A N GLN 181.A O no hydrogen 3.278 N/A GLU 186.A N PRO 182.A O no hydrogen 2.869 N/A THR 187.A N ILE 183.A O no hydrogen 2.943 N/A THR 187.A OG1 ILE 183.A O no hydrogen 2.788 N/A VAL 188.A N TYR 184.A O no hydrogen 3.177 N/A LYS 189.A N VAL 185.A O no hydrogen 2.915 N/A LYS 191.A N VAL 188.A O no hydrogen 2.977 N/A ASN 193.A ND2 SER 163.A O no hydrogen 2.971 N/A ASN 193.A ND2 SER 166.A O no hydrogen 3.282 N/A ASN 193.A ND2 THR 167.A O no hydrogen 3.139 N/A VAL 194.A N LYS 191.A O no hydrogen 3.271 N/A GLU 195.A N VAL 169.A O no hydrogen 2.848 N/A VAL 197.A N LEU 171.A O no hydrogen 2.742 N/A ASN 199.A N ARG 175.A O no hydrogen 2.850 N/A ASN 199.A ND2 ASP 176.A OD1 no hydrogen 2.796 N/A SER 200.A N HIS 173.A O no hydrogen 2.901 N/A SER 200.A OG LEU 198.A O no hydrogen 2.794 N/A VAL 201.A N GLU 217.A O no hydrogen 2.927 N/A LYS 203.A N VAL 215.A O no hydrogen 2.700 N/A ILE 205.A N PRO 120.A O no hydrogen 2.835 N/A LYS 206.A N GLN 213.A O no hydrogen 2.873 N/A LYS 206.A NZ GLU 226.A OE1 no hydrogen 3.257 N/A ASP 208.A N VAL 210.A O no hydrogen 3.024 N/A VAL 211.A N ARG 128.A O no hydrogen 2.909 N/A LYS 212.A N LYS 206.A O no hydrogen 2.802 N/A GLN 213.A N LYS 206.A O no hydrogen 3.025 N/A GLN 213.A NE2 ASN 228.A OD1 no hydrogen 3.055 N/A VAL 214.A N LEU 227.A O no hydrogen 2.922 N/A VAL 215.A N GLU 204.A O no hydrogen 2.975 N/A VAL 216.A N LYS 225.A O no hydrogen 2.768 N/A GLU 217.A N VAL 201.A O no hydrogen 2.821 N/A ASN 218.A N GLU 223.A O no hydrogen 2.874 N/A LEU 219.A N ASN 199.A O no hydrogen 2.716 N/A LYS 220.A N ASN 218.A OD1 no hydrogen 2.801 N/A LYS 220.A NZ ASP 176.A OD1 no hydrogen 3.243 N/A THR 221.A N ASN 218.A OD1 no hydrogen 2.957 N/A GLY 222.A N ASN 218.A O no hydrogen 2.783 N/A GLU 223.A N THR 221.A OG1 no hydrogen 3.177 N/A LYS 225.A N VAL 216.A O no hydrogen 2.859 N/A LEU 227.A N VAL 214.A O no hydrogen 2.820 N/A VAL 229.A N LYS 212.A O no hydrogen 2.982 N/A ASN 230.A N VAL 145.A O no hydrogen 2.750 N/A ASN 230.A ND2 VAL 145.A O no hydrogen 3.600 N/A VAL 232.A N GLY 129.A O no hydrogen 2.921 N/A PHE 233.A N ALA 147.A O no hydrogen 2.743 N/A ILE 234.A N SER 131.A O no hydrogen 2.865 N/A GLU 235.A N ILE 149.A O no hydrogen 2.781 N/A ASP 239.A N LYS 113.A O no hydrogen 2.720 N/A THR 242.A OG1 GLY 256.A O no hydrogen 2.715 N/A ALA 245.A N PRO 241.A O no hydrogen 3.007 N/A LYS 246.A N THR 242.A O no hydrogen 2.854 N/A SER 247.A N ASP 243.A O no hydrogen 2.925 N/A ASN 248.A N PHE 244.A O no hydrogen 3.103 N/A ASN 248.A N ALA 245.A O no hydrogen 3.084 N/A ASN 248.A ND2 PHE 244.A O no hydrogen 2.930 N/A GLY 249.A N LYS 246.A O no hydrogen 3.226 N/A ILE 250.A N ALA 245.A O no hydrogen 2.882 N/A GLU 251.A N SER 267.A OG no hydrogen 2.900 N/A ASP 253.A N TYR 257.A O no hydrogen 2.898 N/A ASN 255.A N ASP 253.A OD1 no hydrogen 2.809 N/A ASN 255.A ND2 ASP 253.A OD2 no hydrogen 2.949 N/A GLY 256.A N ASP 253.A O no hydrogen 3.063 N/A TYR 257.A N ASP 253.A OD1 no hydrogen 2.903 N/A ILE 258.A N CYS 277.A O no hydrogen 2.914 N/A LYS 259.A N GLU 251.A O no hydrogen 3.089 N/A LYS 259.A NZ VAL 260.A O no hydrogen 3.028 N/A VAL 260.A N SER 279.A OG no hydrogen 3.029 N/A ASP 261.A N ARG 265.A O no hydrogen 3.110 N/A TRP 263.A N ASP 261.A OD1 no hydrogen 2.931 N/A MET 264.A N ASP 261.A O no hydrogen 3.071 N/A ARG 265.A N ASP 261.A OD1 no hydrogen 2.974 N/A ARG 265.A NE ASP 261.A OD1 no hydrogen 3.388 N/A ARG 265.A NE ASP 261.A OD2 no hydrogen 2.568 N/A ARG 265.A NH2 ASP 261.A OD2 no hydrogen 2.971 N/A THR 266.A N VAL 271.A O no hydrogen 3.090 N/A THR 266.A OG1 VAL 268.A O no hydrogen 3.322 N/A THR 266.A OG1 VAL 271.A O no hydrogen 2.756 N/A VAL 268.A N THR 266.A OG1 no hydrogen 3.064 N/A VAL 271.A N VAL 268.A O no hydrogen 2.941 N/A PHE 272.A N VAL 106.A O no hydrogen 2.832 N/A ALA 273.A N MET 264.A O no hydrogen 2.949 N/A ALA 274.A N LEU 108.A O no hydrogen 2.871 N/A GLY 275.A N GLN 293.A OE1 no hydrogen 2.835 N/A CYS 277.A SG LEU 108.A O no hydrogen 3.632 N/A CYS 277.A SG ALA 274.A O no hydrogen 3.743 N/A THR 278.A N GLY 275.A O no hydrogen 3.036 N/A THR 278.A OG1 GLY 275.A O no hydrogen 2.992 N/A SER 279.A N ILE 258.A O no hydrogen 2.875 N/A SER 279.A OG ILE 258.A O no hydrogen 3.523 N/A ALA 280.A N THR 278.A OG1 no hydrogen 3.319 N/A PHE 284.A N TRP 281.A O no hydrogen 2.967 N/A ARG 285.A NH2 TYR 257.A OH no hydrogen 2.920 N/A THR 289.A OG1 GLN 286.A O no hydrogen 3.108 N/A ALA 290.A N GLN 286.A O no hydrogen 3.069 N/A VAL 291.A N VAL 287.A O no hydrogen 2.924 N/A ALA 292.A N ILE 288.A O no hydrogen 3.022 N/A GLN 293.A N THR 289.A O no hydrogen 2.871 N/A GLN 293.A NE2 ALA 280.A O no hydrogen 3.371 N/A GLY 294.A N ALA 290.A O no hydrogen 2.882 N/A ALA 295.A N VAL 291.A O no hydrogen 3.107 N/A VAL 296.A N ALA 292.A O no hydrogen 3.060 N/A ALA 297.A N GLN 293.A O no hydrogen 2.847 N/A ALA 298.A N GLY 294.A O no hydrogen 2.938 N/A THR 299.A N ALA 295.A O no hydrogen 3.021 N/A THR 299.A OG1 TYR 28.A OH no hydrogen 2.694 N/A THR 299.A OG1 ALA 295.A O no hydrogen 2.804 N/A SER 300.A N VAL 296.A O no hydrogen 2.834 N/A SER 300.A OG TRP 263.A O no hydrogen 2.657 N/A SER 300.A OG VAL 296.A O no hydrogen 3.440 N/A ALA 301.A N ALA 297.A O no hydrogen 2.840 N/A TYR 302.A N ALA 298.A O no hydrogen 2.830 N/A ARG 303.A N THR 299.A O no hydrogen 2.980 N/A TYR 304.A N SER 300.A O no hydrogen 2.905 N/A VAL 305.A N ALA 301.A O no hydrogen 2.812 N/A THR 306.A N TYR 302.A O no hydrogen 2.968 N/A THR 306.A OG1 TYR 302.A O no hydrogen 2.826 N/A THR 306.A OG1 ARG 303.A O no hydrogen 3.233 N/A GLU 307.A N ARG 303.A O no hydrogen 2.984 N/A LYS 308.A N TYR 304.A O no hydrogen 2.891 N/A LYS 308.A NZ ASP 104.A OD1 no hydrogen 2.856 N/A