Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cx8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N PRO 171.A O no hydrogen 3.000 N/A LYS 4.A N THR 195.A OG1 no hydrogen 3.146 N/A LYS 4.A NZ ASP 192.A O no hydrogen 2.906 N/A ILE 5.A N LYS 173.A O no hydrogen 2.848 N/A LEU 6.A N SER 196.A O no hydrogen 2.843 N/A LEU 7.A N VAL 175.A O no hydrogen 2.888 N/A LEU 8.A N LEU 198.A O no hydrogen 2.950 N/A SER 13.A OG ALA 10.A O no hydrogen 2.890 N/A LYS 15.A NZ GLY 9.A O no hydrogen 3.085 N/A LYS 15.A NZ SER 13.A OG no hydrogen 3.230 N/A SER 16.A OG THR 157.A OG1 no hydrogen 2.869 N/A SER 16.A OG ASP 176.A OD2 no hydrogen 2.563 N/A PHE 18.A N GLY 14.A O no hydrogen 2.943 N/A LEU 19.A N LYS 15.A O no hydrogen 3.027 N/A LYS 20.A N SER 16.A O no hydrogen 3.055 N/A LYS 20.A NZ ILE 150.A O no hydrogen 2.856 N/A GLN 21.A N THR 17.A O no hydrogen 3.112 N/A GLN 21.A NE2 ALA 299.A O no hydrogen 2.705 N/A MET 22.A N PHE 18.A O no hydrogen 3.176 N/A ARG 23.A N LEU 19.A O no hydrogen 3.393 N/A ARG 23.A NE ASP 29.A O no hydrogen 2.994 N/A ARG 23.A NH2 ASP 29.A O no hydrogen 3.558 N/A ILE 24.A N LYS 20.A O no hydrogen 3.018 N/A ILE 25.A N GLN 21.A O no hydrogen 2.695 N/A HIS 26.A N MET 22.A O no hydrogen 2.813 N/A GLY 27.A N ARG 23.A O no hydrogen 3.002 N/A GLN 28.A N GLN 28.A OE1 no hydrogen 2.447 N/A ASP 29.A N ARG 23.A O no hydrogen 2.907 N/A PHE 30.A N ASP 29.A OD1 no hydrogen 2.490 N/A ALA 34.A N ASP 31.A OD1 no hydrogen 2.887 N/A ARG 35.A N ASP 31.A O no hydrogen 2.948 N/A ARG 35.A NE PRO 145.A O no hydrogen 2.686 N/A ARG 35.A NH1 PHE 30.A O no hydrogen 2.886 N/A GLU 36.A N GLN 32.A O no hydrogen 2.938 N/A PHE 38.A N ARG 35.A O no hydrogen 3.041 N/A ARG 39.A N GLU 36.A O no hydrogen 3.056 N/A ARG 39.A NE TYR 143.A O no hydrogen 2.862 N/A ARG 39.A NH2 GLU 36.A OE1 no hydrogen 2.683 N/A ARG 39.A NH2 TYR 143.A O no hydrogen 2.749 N/A ILE 42.A N PHE 38.A O no hydrogen 2.956 N/A TYR 43.A N ARG 39.A O no hydrogen 2.909 N/A TYR 43.A OH LEU 138.A O no hydrogen 2.810 N/A SER 44.A N PRO 40.A O no hydrogen 3.073 N/A ASN 45.A N THR 41.A O no hydrogen 2.812 N/A ASN 45.A ND2 ARG 154.A O no hydrogen 3.085 N/A VAL 46.A N ILE 42.A O no hydrogen 3.144 N/A ILE 47.A N TYR 43.A O no hydrogen 3.076 N/A LYS 48.A N SER 44.A O no hydrogen 2.956 N/A LYS 48.A NZ ALA 86.A O no hydrogen 2.809 N/A GLY 49.A N ASN 45.A O no hydrogen 2.881 N/A MET 50.A N VAL 46.A O no hydrogen 2.907 N/A ARG 51.A N ILE 47.A O no hydrogen 2.985 N/A VAL 52.A N LYS 48.A O no hydrogen 3.049 N/A LEU 53.A N GLY 49.A O no hydrogen 3.147 N/A VAL 54.A N MET 50.A O no hydrogen 2.976 N/A ASP 55.A N ARG 51.A O no hydrogen 3.046 N/A ALA 56.A N VAL 52.A O no hydrogen 2.874 N/A ARG 57.A N LEU 53.A O no hydrogen 2.838 N/A GLU 58.A N VAL 54.A O no hydrogen 3.074 N/A LYS 59.A N ASP 55.A O no hydrogen 2.888 N/A LYS 59.A NZ ASP 55.A OD2 no hydrogen 2.887 N/A LEU 60.A N ALA 56.A O no hydrogen 2.873 N/A HIS 61.A N GLU 58.A O no hydrogen 3.138 N/A ILE 62.A N ARG 57.A O no hydrogen 2.882 N/A TRP 64.A NE1 GLN 70.A OE1 no hydrogen 3.079 N/A GLY 65.A N ASP 109.A OD1 no hydrogen 3.011 N/A GLY 65.A N ASP 109.A OD2 no hydrogen 2.714 N/A ASP 66.A N ASP 109.A OD1 no hydrogen 3.021 N/A LYS 68.A N ASP 66.A OD1 no hydrogen 2.982 N/A LYS 68.A NZ ASN 69.A OD1 no hydrogen 2.927 N/A ASN 69.A N ASP 66.A O no hydrogen 2.975 N/A ASN 69.A ND2 ASP 109.A OD1 no hydrogen 2.658 N/A GLN 70.A N ASN 67.A O no hydrogen 3.081 N/A GLN 70.A NE2 GLN 70.A O no hydrogen 3.227 N/A GLN 70.A NE2 ASP 74.A OD1 no hydrogen 3.098 N/A LEU 71.A N LYS 68.A O no hydrogen 3.480 N/A GLY 73.A N ASN 69.A O no hydrogen 2.852 N/A ASP 74.A N GLN 70.A O no hydrogen 2.856 N/A LYS 75.A N LEU 71.A O no hydrogen 3.182 N/A LEU 76.A N HIS 72.A O no hydrogen 3.082 N/A MET 77.A N GLY 73.A O no hydrogen 3.021 N/A ALA 78.A N ASP 74.A O no hydrogen 3.019 N/A PHE 79.A N LEU 76.A O no hydrogen 3.063 N/A ARG 82.A N ASP 80.A OD1 no hydrogen 2.856 N/A ALA 83.A N ASP 80.A O no hydrogen 3.503 N/A ALA 87.A N ALA 83.A O no hydrogen 2.686 N/A GLN 88.A N PRO 84.A O no hydrogen 3.287 N/A GLN 88.A N MET 85.A O no hydrogen 2.991 N/A GLN 88.A NE2 PRO 84.A O no hydrogen 3.477 N/A GLY 89.A N ALA 86.A O no hydrogen 2.819 N/A MET 90.A N MET 85.A O no hydrogen 3.024 N/A VAL 91.A N PRO 40.A O no hydrogen 3.068 N/A PHE 96.A N GLU 92.A O no hydrogen 2.954 N/A LEU 97.A N THR 93.A O no hydrogen 2.970 N/A GLN 98.A N ARG 94.A O no hydrogen 3.326 N/A GLN 98.A N VAL 95.A O no hydrogen 2.972 N/A TYR 99.A N PHE 96.A O no hydrogen 2.968 N/A LEU 100.A N PHE 96.A O no hydrogen 2.982 N/A ILE 103.A N TYR 99.A O no hydrogen 2.860 N/A ARG 104.A N LEU 100.A O no hydrogen 2.860 N/A ALA 105.A N PRO 101.A O no hydrogen 3.235 N/A LEU 106.A N ALA 102.A O no hydrogen 3.036 N/A TRP 107.A N ILE 103.A O no hydrogen 3.013 N/A TRP 107.A NE1 ASP 133.A OD1 no hydrogen 2.763 N/A GLU 108.A N ALA 105.A O no hydrogen 3.311 N/A ASP 109.A N LEU 106.A O no hydrogen 2.982 N/A GLY 111.A N ASP 109.A OD2 no hydrogen 2.683 N/A GLN 113.A N ASP 109.A O no hydrogen 3.046 N/A GLN 113.A NE2 TRP 107.A O no hydrogen 2.699 N/A ASN 114.A N SER 110.A O no hydrogen 2.887 N/A ALA 115.A N GLY 111.A O no hydrogen 2.919 N/A TYR 116.A N ILE 112.A O no hydrogen 2.932 N/A ASP 117.A N GLN 113.A O no hydrogen 3.078 N/A ARG 118.A N ASN 114.A O no hydrogen 3.269 N/A ARG 118.A N ALA 115.A O no hydrogen 3.007 N/A ARG 118.A NE GLU 121.A OE1 no hydrogen 2.810 N/A ARG 118.A NH2 GLU 121.A OE1 no hydrogen 3.354 N/A ARG 118.A NH2 GLU 121.A OE2 no hydrogen 2.807 N/A ARG 119.A N TYR 116.A O no hydrogen 3.093 N/A ARG 119.A NH1 TYR 116.A O no hydrogen 2.950 N/A ARG 120.A NE ASP 207.A OD2 no hydrogen 2.892 N/A GLU 121.A N ARG 118.A O no hydrogen 2.859 N/A PHE 122.A N ARG 119.A O no hydrogen 2.940 N/A GLN 123.A NE2 VAL 209.A O no hydrogen 3.093 N/A VAL 128.A N GLY 125.A O no hydrogen 3.094 N/A LYS 129.A N GLU 126.A O no hydrogen 3.048 N/A LYS 129.A NZ ASP 133.A OD2 no hydrogen 2.864 N/A TYR 130.A N GLU 126.A O no hydrogen 3.329 N/A TYR 130.A OH ASP 149.A OD1 no hydrogen 2.618 N/A PHE 131.A N SER 127.A O no hydrogen 3.013 N/A LEU 132.A N VAL 128.A O no hydrogen 2.953 N/A ASP 133.A N LYS 129.A O no hydrogen 2.954 N/A ASN 134.A N PHE 131.A O no hydrogen 2.915 N/A ASN 134.A ND2 TYR 130.A O no hydrogen 2.847 N/A LYS 137.A N ASN 134.A O no hydrogen 3.235 N/A LYS 137.A NZ ASP 149.A OD1 no hydrogen 2.941 N/A LYS 137.A NZ ASP 149.A OD2 no hydrogen 3.032 N/A LEU 138.A N ASN 134.A O no hydrogen 3.185 N/A GLY 139.A N LEU 135.A O no hydrogen 2.876 N/A TYR 143.A N VAL 140.A O no hydrogen 3.164 N/A TYR 143.A OH ASP 149.A OD2 no hydrogen 2.815 N/A SER 146.A N ASP 149.A OD2 no hydrogen 2.973 N/A GLN 148.A NE2 ILE 300.A O no hydrogen 2.927 N/A ASP 149.A N SER 146.A OG no hydrogen 3.107 N/A ILE 150.A N SER 146.A O no hydrogen 3.012 N/A LEU 151.A N GLN 147.A O no hydrogen 3.137 N/A LEU 152.A N GLN 148.A O no hydrogen 3.128 N/A ALA 153.A N ASP 149.A O no hydrogen 2.918 N/A ARG 154.A N ASN 45.A OD1 no hydrogen 2.842 N/A ARG 155.A NH1 GLN 88.A O no hydrogen 2.959 N/A ARG 155.A NH2 THR 41.A OG1 no hydrogen 2.767 N/A ARG 155.A NH2 GLN 88.A O no hydrogen 3.266 N/A ARG 155.A NH2 GLY 89.A O no hydrogen 2.865 N/A THR 157.A OG1 SER 16.A OG no hydrogen 2.869 N/A GLY 159.A N GLU 183.A OE1 no hydrogen 2.739 N/A HIS 161.A N ASP 176.A O no hydrogen 2.927 N/A TYR 163.A N MET 174.A O no hydrogen 2.912 N/A TYR 163.A OH GLN 28.A OE1 no hydrogen 2.582 N/A PHE 165.A N PHE 172.A O no hydrogen 2.976 N/A ILE 167.A N VAL 170.A O no hydrogen 2.962 N/A VAL 170.A N ILE 167.A O no hydrogen 3.070 N/A PHE 172.A N PHE 165.A O no hydrogen 2.754 N/A LYS 173.A N VAL 3.A O no hydrogen 3.044 N/A LYS 173.A NZ GLU 162.A OE2 no hydrogen 3.105 N/A MET 174.A N TYR 163.A O no hydrogen 2.847 N/A VAL 175.A N ILE 5.A O no hydrogen 2.823 N/A ASP 176.A N HIS 161.A O no hydrogen 2.741 N/A ARG 181.A N GLU 212.A OE1 no hydrogen 2.883 N/A ARG 181.A NE GLU 221.A OE2 no hydrogen 3.030 N/A ARG 181.A NH2 GLU 221.A OE1 no hydrogen 3.023 N/A GLU 183.A N GLN 180.A O no hydrogen 2.937 N/A ARG 184.A N ARG 181.A O no hydrogen 3.093 N/A ARG 184.A NE GLY 179.A O no hydrogen 2.709 N/A ARG 184.A NH1 GLU 221.A OE2 no hydrogen 2.731 N/A ARG 184.A NH2 GLY 179.A O no hydrogen 3.108 N/A ARG 184.A NH2 GLU 221.A OE2 no hydrogen 3.081 N/A ARG 186.A N GLU 183.A O no hydrogen 3.033 N/A ARG 186.A NH2 GLU 183.A OE1 no hydrogen 3.125 N/A TRP 187.A N ARG 184.A O no hydrogen 3.159 N/A TRP 187.A NE1 GLY 178.A O no hydrogen 2.932 N/A GLU 189.A N ARG 186.A O no hydrogen 3.283 N/A CYS 190.A N TRP 187.A O no hydrogen 2.887 N/A CYS 190.A SG ARG 186.A O no hydrogen 3.722 N/A SER 193.A OG ASP 192.A OD2 no hydrogen 3.263 N/A VAL 194.A N PHE 191.A O no hydrogen 3.399 N/A THR 195.A N LYS 4.A O no hydrogen 2.813 N/A SER 196.A N LYS 4.A O no hydrogen 3.159 N/A SER 196.A OG SER 239.A O no hydrogen 2.969 N/A SER 196.A OG SER 239.A OG no hydrogen 3.069 N/A ILE 197.A N SER 239.A O no hydrogen 2.917 N/A LEU 198.A N LEU 6.A O no hydrogen 2.769 N/A PHE 199.A N ILE 241.A O no hydrogen 2.786 N/A LEU 200.A N LEU 8.A O no hydrogen 2.797 N/A VAL 201.A N PHE 243.A O no hydrogen 2.897 N/A SER 202.A OG SER 204.A OG no hydrogen 3.320 N/A SER 203.A N ASN 245.A O no hydrogen 2.805 N/A SER 203.A OG ASN 245.A O no hydrogen 2.738 N/A SER 203.A OG LYS 246.A O no hydrogen 3.398 N/A SER 204.A OG SER 202.A OG no hydrogen 3.320 N/A GLU 205.A N SER 202.A O no hydrogen 3.285 N/A GLN 208.A N GLU 205.A O no hydrogen 2.899 N/A GLN 208.A NE2 SER 204.A O no hydrogen 3.548 N/A LEU 210.A N THR 216.A O no hydrogen 2.817 N/A GLU 212.A N GLU 212.A OE2 no hydrogen 2.668 N/A GLN 215.A N ASP 213.A O no hydrogen 2.297 N/A THR 216.A N ASP 213.A O no hydrogen 3.270 N/A THR 216.A OG1 ASP 213.A OD2 no hydrogen 2.765 N/A ASN 217.A ND2 PHE 206.A O no hydrogen 2.942 N/A ARG 218.A N GLN 208.A O no hydrogen 2.798 N/A ARG 218.A NE VAL 209.A O no hydrogen 2.907 N/A ARG 218.A NH1 GLU 12.A OE2 no hydrogen 2.848 N/A ARG 218.A NH2 GLU 12.A OE2 no hydrogen 2.840 N/A ARG 218.A NH2 GLN 123.A OE1 no hydrogen 2.572 N/A THR 220.A N ASN 217.A OD1 no hydrogen 3.083 N/A GLU 221.A N ASN 217.A O no hydrogen 2.998 N/A SER 222.A N ARG 218.A O no hydrogen 3.068 N/A SER 222.A OG GLU 205.A OE2 no hydrogen 2.643 N/A SER 222.A OG ARG 218.A O no hydrogen 3.460 N/A LEU 223.A N LEU 219.A O no hydrogen 2.949 N/A ASN 224.A N THR 220.A O no hydrogen 2.982 N/A ILE 225.A N GLU 221.A O no hydrogen 2.983 N/A PHE 226.A N SER 222.A O no hydrogen 2.991 N/A GLU 227.A N LEU 223.A O no hydrogen 2.958 N/A THR 228.A N ASN 224.A O no hydrogen 3.300 N/A ILE 229.A N ILE 225.A O no hydrogen 3.126 N/A VAL 230.A N PHE 226.A O no hydrogen 2.835 N/A ASN 231.A N GLU 227.A O no hydrogen 3.312 N/A ASN 231.A ND2 GLU 227.A O no hydrogen 3.032 N/A ASN 231.A ND2 GLU 227.A OE2 no hydrogen 2.731 N/A ASN 231.A ND2 LYS 287.A O no hydrogen 2.881 N/A ASN 232.A N ILE 229.A O no hydrogen 3.226 N/A VAL 234.A N ASN 232.A OD1 no hydrogen 2.865 N/A PHE 235.A N ASN 232.A O no hydrogen 3.014 N/A SER 236.A N ARG 233.A O no hydrogen 2.998 N/A SER 236.A OG ARG 233.A O no hydrogen 3.253 N/A VAL 238.A N PHE 235.A O no hydrogen 2.952 N/A SER 239.A N THR 195.A O no hydrogen 3.476 N/A SER 239.A OG THR 195.A O no hydrogen 3.455 N/A SER 239.A OG SER 196.A OG no hydrogen 3.069 N/A ILE 241.A N ILE 197.A O no hydrogen 2.925 N/A LEU 242.A N TYR 293.A O no hydrogen 2.902 N/A PHE 243.A N PHE 199.A O no hydrogen 2.851 N/A LEU 244.A N HIS 295.A O no hydrogen 2.787 N/A ASN 245.A N VAL 201.A O no hydrogen 2.726 N/A ASN 245.A ND2 SER 13.A O no hydrogen 2.912 N/A LYS 246.A NZ GLU 12.A O no hydrogen 2.978 N/A THR 247.A N THR 297.A O no hydrogen 3.022 N/A THR 247.A OG1 LEU 244.A O no hydrogen 3.282 N/A THR 247.A OG1 THR 297.A O no hydrogen 2.816 N/A LEU 250.A N LYS 246.A O no hydrogen 3.071 N/A GLU 251.A N THR 247.A O no hydrogen 2.960 N/A GLU 252.A N ASP 248.A O no hydrogen 3.441 N/A LYS 253.A N LEU 249.A O no hydrogen 2.894 N/A LYS 253.A NZ SER 204.A O no hydrogen 2.919 N/A LYS 253.A NZ ASP 207.A OD1 no hydrogen 2.779 N/A VAL 254.A N LEU 250.A O no hydrogen 3.005 N/A GLN 255.A NE2 GLU 251.A O no hydrogen 2.988 N/A VAL 256.A N LYS 253.A O no hydrogen 2.933 N/A VAL 257.A N LYS 253.A O no hydrogen 2.912 N/A LYS 260.A N SER 258.A OG no hydrogen 3.247 N/A LYS 260.A NZ LEU 264.A O no hydrogen 3.063 N/A LYS 260.A NZ PHE 266.A O no hydrogen 3.247 N/A ASP 261.A N SER 258.A O no hydrogen 3.236 N/A TYR 262.A N ILE 259.A O no hydrogen 2.817 N/A PHE 263.A N ILE 259.A O no hydrogen 2.796 N/A PHE 266.A N PHE 263.A O no hydrogen 3.127 N/A ASP 269.A N ASP 275.A OD2 no hydrogen 3.041 N/A HIS 271.A N ASP 269.A OD2 no hydrogen 2.812 N/A CYS 272.A N ASP 269.A O no hydrogen 2.848 N/A CYS 272.A SG ASP 275.A OD1 no hydrogen 3.232 N/A VAL 276.A N CYS 272.A O no hydrogen 3.227 N/A GLN 277.A N LEU 273.A O no hydrogen 2.966 N/A LYS 278.A N ARG 274.A O no hydrogen 3.022 N/A PHE 279.A N ASP 275.A O no hydrogen 3.161 N/A LEU 280.A N VAL 276.A O no hydrogen 2.897 N/A VAL 281.A N GLN 277.A O no hydrogen 2.998 N/A GLU 282.A N LYS 278.A O no hydrogen 3.086 N/A CYS 283.A N PHE 279.A O no hydrogen 3.039 N/A CYS 283.A SG PHE 279.A O no hydrogen 3.293 N/A PHE 284.A N LEU 280.A O no hydrogen 3.214 N/A ARG 285.A N VAL 281.A O no hydrogen 2.881 N/A GLY 286.A N GLU 282.A O no hydrogen 2.923 N/A LYS 287.A N PHE 284.A O no hydrogen 3.019 N/A ARG 288.A N ARG 285.A O no hydrogen 3.224 N/A ARG 289.A N ASN 231.A OD1 no hydrogen 2.878 N/A ARG 289.A NH2 GLU 227.A OE2 no hydrogen 3.036 N/A HIS 294.A ND1 LEU 292.A O no hydrogen 3.377 N/A HIS 295.A N LEU 242.A O no hydrogen 2.908 N/A THR 297.A N LEU 244.A O no hydrogen 2.972 N/A THR 297.A OG1 ASN 245.A OD1 no hydrogen 2.805 N/A THR 298.A N ASN 304.A OD1 no hydrogen 3.003 N/A ALA 299.A N ASN 245.A OD1 no hydrogen 2.801 N/A ASN 301.A N THR 298.A O no hydrogen 2.888 N/A THR 302.A OG1 GLN 21.A OE1 no hydrogen 2.883 N/A ASN 304.A N ASN 301.A OD1 no hydrogen 2.905 N/A ILE 305.A N ASN 301.A O no hydrogen 3.048 N/A ARG 306.A N THR 302.A O no hydrogen 2.850 N/A LEU 307.A N GLU 303.A O no hydrogen 3.263 N/A VAL 308.A N ASN 304.A O no hydrogen 2.969 N/A PHE 309.A N ILE 305.A O no hydrogen 2.843 N/A ASP 311.A N LEU 307.A O no hydrogen 3.367 N/A VAL 312.A N VAL 308.A O no hydrogen 2.919 N/A LYS 313.A N PHE 309.A O no hydrogen 2.831 N/A ASP 314.A N ARG 310.A O no hydrogen 3.203 N/A THR 315.A N ASP 311.A O no hydrogen 2.974 N/A THR 315.A OG1 ASP 311.A O no hydrogen 2.971 N/A ILE 316.A N VAL 312.A O no hydrogen 2.864 N/A LEU 317.A N LYS 313.A O no hydrogen 2.831 N/A HIS 318.A N THR 315.A O no hydrogen 3.297 N/A ASP 319.A N ILE 316.A O no hydrogen 3.227 N/A