Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8die_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 2.A N ASN 207.A OD1 no hydrogen 2.896 N/A ARG 4.A N GLN 291.A OE1 no hydrogen 2.844 N/A LYS 5.A NZ GLU 280.A OE1 no hydrogen 2.916 N/A PHE 8.A N SER 111.A OG no hydrogen 2.851 N/A SER 10.A OG GLU 14.A OE2 no hydrogen 2.476 N/A LYS 12.A NZ PRO 9.A O no hydrogen 3.339 N/A GLU 14.A N SER 10.A O no hydrogen 2.871 N/A GLY 15.A N GLY 11.A O no hydrogen 3.276 N/A CYS 16.A N VAL 13.A O no hydrogen 2.853 N/A CYS 16.A SG LYS 12.A O no hydrogen 3.394 N/A CYS 16.A SG TRP 31.A O no hydrogen 3.908 N/A MET 17.A N GLU 14.A O no hydrogen 3.375 N/A VAL 18.A N GLY 29.A O no hydrogen 2.982 N/A GLN 19.A N GLN 67.A O no hydrogen 2.852 N/A GLN 19.A NE2 ASN 117.A OD1 no hydrogen 3.499 N/A VAL 20.A N LEU 27.A O no hydrogen 2.837 N/A THR 21.A N LEU 65.A O no hydrogen 2.878 N/A THR 21.A OG1 THR 26.A OG1 no hydrogen 2.813 N/A CYS 22.A N THR 25.A O no hydrogen 2.954 N/A CYS 22.A SG ASN 63.A O no hydrogen 3.903 N/A THR 25.A N CYS 22.A O no hydrogen 3.098 N/A THR 25.A OG1 CYS 44.A O no hydrogen 3.333 N/A THR 26.A OG1 THR 21.A OG1 no hydrogen 2.813 N/A LEU 27.A N VAL 20.A O no hydrogen 2.931 N/A ASN 28.A N CYS 142.A O no hydrogen 3.198 N/A ASN 28.A ND2 CYS 115.A O no hydrogen 2.883 N/A ASN 28.A ND2 CYS 142.A O no hydrogen 3.158 N/A GLY 29.A N VAL 18.A O no hydrogen 2.883 N/A LEU 30.A N TYR 37.A O no hydrogen 2.671 N/A TRP 31.A N CYS 16.A O no hydrogen 2.723 N/A LEU 32.A N VAL 35.A O no hydrogen 3.012 N/A ASP 33.A N THR 96.A OG1 no hydrogen 3.095 N/A VAL 35.A N LEU 32.A O no hydrogen 2.944 N/A VAL 36.A N LEU 87.A O no hydrogen 2.745 N/A TYR 37.A N LEU 30.A O no hydrogen 2.673 N/A CYS 38.A N LEU 85.A O no hydrogen 3.187 N/A CYS 38.A SG PRO 39.A O no hydrogen 3.621 N/A ARG 40.A N CYS 83.A O no hydrogen 3.028 N/A ARG 40.A NE ASP 180.A OD2 no hydrogen 2.820 N/A ARG 40.A NH2 ASP 180.A OD1 no hydrogen 2.989 N/A HIS 41.A NE2 HIS 160.A O no hydrogen 3.063 N/A VAL 42.A N PRO 39.A O no hydrogen 3.200 N/A ILE 43.A N ARG 40.A O no hydrogen 3.196 N/A CYS 44.A N HIS 41.A O no hydrogen 2.905 N/A CYS 44.A SG TYR 52.A OH no hydrogen 3.646 N/A TYR 52.A OH ASP 180.A O no hydrogen 2.811 N/A ASP 54.A N ASN 51.A OD1 no hydrogen 3.254 N/A LEU 55.A N ASN 51.A O no hydrogen 2.914 N/A LEU 56.A N TYR 52.A O no hydrogen 2.859 N/A ILE 57.A N GLU 53.A O no hydrogen 3.134 N/A LYS 59.A N LEU 56.A O no hydrogen 3.130 N/A SER 60.A N ASN 63.A OD1 no hydrogen 3.105 N/A ASN 63.A N SER 60.A O no hydrogen 2.819 N/A PHE 64.A N ASN 61.A O no hydrogen 2.956 N/A LEU 65.A N THR 21.A O no hydrogen 2.897 N/A GLN 67.A N GLN 19.A O no hydrogen 2.926 N/A GLN 67.A NE2 GLY 69.A O no hydrogen 2.819 N/A ALA 68.A N VAL 71.A O no hydrogen 2.860 N/A VAL 71.A N ALA 68.A O no hydrogen 3.235 N/A LEU 73.A N VAL 66.A O no hydrogen 2.791 N/A ILE 76.A N LYS 88.A O no hydrogen 2.862 N/A HIS 78.A ND1 ASN 61.A OD1 no hydrogen 2.684 N/A SER 79.A N LYS 86.A O no hydrogen 3.059 N/A GLN 81.A N VAL 84.A O no hydrogen 2.953 N/A ASN 82.A ND2 GLU 171.A O no hydrogen 2.735 N/A CYS 83.A N GLY 172.A O no hydrogen 2.913 N/A CYS 83.A SG ASP 180.A OD1 no hydrogen 3.792 N/A VAL 84.A N GLN 81.A O no hydrogen 3.130 N/A LEU 85.A N CYS 38.A O no hydrogen 2.773 N/A LYS 86.A N SER 79.A O no hydrogen 2.740 N/A LYS 86.A NZ GLN 81.A OE1 no hydrogen 2.718 N/A LEU 87.A N VAL 36.A O no hydrogen 2.751 N/A LYS 88.A N GLY 77.A O no hydrogen 2.726 N/A VAL 89.A N ASP 34.A O no hydrogen 2.937 N/A ASP 90.A N ARG 74.A O no hydrogen 3.044 N/A THR 91.A OG1 ASP 90.A OD1 no hydrogen 3.271 N/A ASN 93.A N ASP 33.A O no hydrogen 2.742 N/A ASN 93.A ND2 GLY 15.A O no hydrogen 3.290 N/A ASN 93.A ND2 TRP 31.A O no hydrogen 2.765 N/A LYS 95.A N ASN 93.A OD1 no hydrogen 2.848 N/A THR 96.A N ASN 93.A O no hydrogen 3.122 N/A THR 96.A OG1 ASN 93.A O no hydrogen 2.681 N/A TYR 99.A OH ASP 33.A OD2 no hydrogen 3.152 N/A LYS 100.A N VAL 153.A O no hydrogen 2.904 N/A VAL 102.A N PHE 155.A O no hydrogen 2.999 N/A ARG 103.A NH1 ASP 169.A OD2 no hydrogen 2.738 N/A ARG 103.A NH1 ASN 173.A O no hydrogen 2.963 N/A ARG 103.A NH1 PHE 174.A O no hydrogen 3.459 N/A ARG 103.A NH2 PHE 174.A O no hydrogen 2.624 N/A ILE 104.A N TYR 175.A OH no hydrogen 3.347 N/A GLN 105.A N GLN 108.A OE1 no hydrogen 2.949 N/A GLY 107.A N MET 127.A O no hydrogen 2.733 N/A GLN 108.A N GLN 105.A O no hydrogen 3.044 N/A THR 109.A OG1 ASP 287.A OD1 no hydrogen 3.414 N/A THR 109.A OG1 ASP 287.A OD2 no hydrogen 2.642 N/A SER 111.A N PHE 147.A O no hydrogen 3.059 N/A SER 111.A OG GLN 125.A OE1 no hydrogen 2.615 N/A VAL 112.A N TYR 124.A O no hydrogen 2.858 N/A LEU 113.A N VAL 145.A O no hydrogen 3.292 N/A ALA 114.A N GLY 122.A O no hydrogen 2.767 N/A CYS 115.A N SER 144.A OG no hydrogen 3.110 N/A CYS 115.A SG LEU 113.A O no hydrogen 3.726 N/A TYR 116.A N SER 119.A O no hydrogen 3.229 N/A GLY 118.A N ASN 28.A OD1 no hydrogen 2.790 N/A SER 119.A N TYR 116.A O no hydrogen 2.927 N/A SER 121.A N ALA 114.A O no hydrogen 2.767 N/A GLY 122.A N ALA 114.A O no hydrogen 3.347 N/A TYR 124.A N VAL 112.A O no hydrogen 3.167 N/A TYR 124.A OH SER 136.A O no hydrogen 3.333 N/A MET 127.A N GLN 108.A O no hydrogen 3.009 N/A ARG 128.A N THR 132.A O no hydrogen 2.903 N/A ARG 128.A NE ASP 190.A OD1 no hydrogen 3.374 N/A ARG 128.A NE ASP 190.A OD2 no hydrogen 2.823 N/A ARG 128.A NH1 ASP 281.A OD1 no hydrogen 2.805 N/A ARG 128.A NH1 ASP 281.A OD2 no hydrogen 3.407 N/A ARG 128.A NH1 GLU 282.A OE2 no hydrogen 3.100 N/A ARG 128.A NH2 THR 191.A O no hydrogen 2.912 N/A ARG 128.A NH2 ASP 281.A OD2 no hydrogen 2.863 N/A ASN 130.A ND2 GLY 188.A O no hydrogen 2.992 N/A PHE 131.A N ARG 128.A O no hydrogen 2.953 N/A THR 132.A N ASN 130.A OD1 no hydrogen 3.272 N/A THR 132.A OG1 ASN 130.A OD1 no hydrogen 2.419 N/A ILE 133.A N HIS 165.A O no hydrogen 3.067 N/A GLY 135.A N HIS 165.A ND1 no hydrogen 2.999 N/A SER 136.A N TYR 124.A OH no hydrogen 3.079 N/A LEU 138.A N TYR 116.A OH no hydrogen 2.865 N/A SER 141.A N LEU 138.A O no hydrogen 3.084 N/A SER 141.A OG LEU 138.A O no hydrogen 2.875 N/A CYS 142.A SG HIS 41.A NE2 no hydrogen 3.522 N/A CYS 142.A SG HIS 160.A O no hydrogen 3.072 N/A GLY 143.A N HIS 159.A O no hydrogen 2.952 N/A SER 144.A N SER 141.A O no hydrogen 2.883 N/A SER 144.A OG SER 141.A O no hydrogen 2.504 N/A GLY 146.A N TYR 157.A O no hydrogen 2.882 N/A PHE 147.A N SER 111.A O no hydrogen 2.817 N/A ASN 148.A N SER 154.A O no hydrogen 2.968 N/A ASN 148.A ND2 THR 109.A O no hydrogen 3.292 N/A ASP 150.A N CYS 152.A O no hydrogen 2.916 N/A CYS 152.A N ASP 150.A O no hydrogen 2.829 N/A CYS 152.A SG LYS 98.A O no hydrogen 3.643 N/A VAL 153.A N LYS 98.A O no hydrogen 2.920 N/A SER 154.A N ASN 148.A O no hydrogen 2.657 N/A PHE 155.A N LYS 100.A O no hydrogen 2.808 N/A CYS 156.A N GLY 146.A O no hydrogen 2.914 N/A TYR 157.A N GLY 146.A O no hydrogen 3.258 N/A TYR 157.A OH HIS 159.A ND1 no hydrogen 3.289 N/A MET 158.A N THR 168.A O no hydrogen 2.626 N/A HIS 159.A N SER 144.A O no hydrogen 2.878 N/A HIS 159.A ND1 TYR 157.A OH no hydrogen 3.289 N/A HIS 159.A NE2 GLU 162.A OE2 no hydrogen 2.394 N/A HIS 160.A N ALA 166.A O no hydrogen 3.154 N/A MET 161.A N ALA 166.A O no hydrogen 2.997 N/A LEU 163.A N VAL 164.A O no hydrogen 2.629 N/A HIS 165.A N ILE 133.A O no hydrogen 3.236 N/A ALA 166.A N MET 161.A O no hydrogen 2.984 N/A THR 168.A N MET 158.A O no hydrogen 2.912 N/A THR 168.A OG1 HIS 160.A NE2 no hydrogen 2.909 N/A THR 168.A OG1 ASP 169.A O no hydrogen 2.783 N/A ASP 169.A N ASN 173.A O no hydrogen 3.035 N/A GLU 171.A N ASP 169.A OD1 no hydrogen 2.960 N/A GLY 172.A N ASP 169.A O no hydrogen 3.159 N/A ASN 173.A N ASP 169.A OD1 no hydrogen 2.885 N/A TYR 175.A N GLY 167.A O no hydrogen 3.066 N/A TYR 175.A OH CYS 156.A O no hydrogen 2.408 N/A VAL 179.A N GLN 185.A OE1 no hydrogen 3.085 N/A ARG 181.A N VAL 179.A O no hydrogen 2.978 N/A ARG 181.A NE LEU 48.A O no hydrogen 3.300 N/A ARG 181.A NH2 LEU 48.A O no hydrogen 2.839 N/A GLN 182.A N MET 47.A O no hydrogen 2.889 N/A GLN 185.A NE2 VAL 179.A O no hydrogen 2.992 N/A GLN 185.A NE2 ARG 181.A O no hydrogen 3.048 N/A GLN 185.A NE2 THR 183.A O no hydrogen 3.615 N/A THR 191.A N ASP 190.A OD1 no hydrogen 2.987 N/A THR 191.A OG1 GLU 232.A OE2 no hydrogen 2.504 N/A THR 192.A N ASN 230.A O no hydrogen 2.919 N/A ILE 193.A N ASP 281.A OD2 no hydrogen 2.674 N/A THR 194.A OG1 GLU 232.A O no hydrogen 2.398 N/A ASN 196.A N ILE 193.A O no hydrogen 2.948 N/A ASN 196.A ND2 GLY 107.A O no hydrogen 3.134 N/A ASN 196.A ND2 ASP 281.A O no hydrogen 2.905 N/A VAL 197.A N ILE 193.A O no hydrogen 3.111 N/A LEU 198.A N THR 194.A O no hydrogen 3.190 N/A ALA 199.A N VAL 195.A O no hydrogen 3.040 N/A TRP 200.A N ASN 196.A O no hydrogen 2.821 N/A LEU 201.A N VAL 197.A O no hydrogen 2.848 N/A TYR 202.A N LEU 198.A O no hydrogen 2.913 N/A TYR 202.A OH ILE 251.A O no hydrogen 3.055 N/A ALA 203.A N ALA 199.A O no hydrogen 2.970 N/A ALA 204.A N TRP 200.A O no hydrogen 2.797 N/A VAL 205.A N LEU 201.A O no hydrogen 2.935 N/A ILE 206.A N TYR 202.A O no hydrogen 2.929 N/A ASN 207.A N ALA 203.A O no hydrogen 3.186 N/A ASN 207.A N ALA 204.A O no hydrogen 3.061 N/A ASN 207.A ND2 ALA 203.A O no hydrogen 3.226 N/A GLY 208.A N VAL 205.A O no hydrogen 3.247 N/A ASP 209.A N ALA 204.A O no hydrogen 3.003 N/A TRP 211.A NE1 THR 272.A O no hydrogen 2.968 N/A LEU 213.A N ARG 210.A O no hydrogen 2.846 N/A ASN 214.A N SER 259.A OG no hydrogen 3.290 N/A THR 216.A OG1 LEU 254.A O no hydrogen 3.503 N/A THR 216.A OG1 ASP 255.A OD1 no hydrogen 2.829 N/A THR 217.A N THR 216.A OG1 no hydrogen 2.665 N/A THR 217.A OG1 THR 218.A O no hydrogen 3.482 N/A THR 217.A OG1 ASP 221.A OD2 no hydrogen 2.387 N/A THR 218.A N THR 217.A OG1 no hydrogen 2.671 N/A ASP 221.A N THR 218.A OG1 no hydrogen 2.654 N/A PHE 222.A N THR 218.A O no hydrogen 2.650 N/A ASN 223.A N LEU 219.A O no hydrogen 2.846 N/A ASN 223.A ND2 LEU 234.A O no hydrogen 3.118 N/A LEU 224.A N ASN 220.A O no hydrogen 2.955 N/A VAL 225.A N ASP 221.A O no hydrogen 3.387 N/A ALA 226.A N PHE 222.A O no hydrogen 2.844 N/A MET 227.A N ASN 223.A O no hydrogen 2.875 N/A LYS 228.A N LEU 224.A O no hydrogen 3.366 N/A TYR 229.A N VAL 225.A O no hydrogen 3.073 N/A TYR 229.A N ALA 226.A O no hydrogen 3.079 N/A ASN 230.A N MET 227.A O no hydrogen 3.341 N/A TYR 231.A N ALA 226.A O no hydrogen 2.785 N/A GLU 232.A N THR 192.A O no hydrogen 2.954 N/A LEU 234.A N ASN 223.A OD1 no hydrogen 2.799 N/A THR 235.A N HIS 238.A ND1 no hydrogen 3.201 N/A GLN 236.A NE2 ASP 240.A OD1 no hydrogen 2.993 N/A HIS 238.A N THR 235.A OG1 no hydrogen 3.282 N/A VAL 239.A N THR 235.A O no hydrogen 3.018 N/A ASP 240.A N GLN 236.A O no hydrogen 2.800 N/A ILE 241.A N ASP 237.A O no hydrogen 2.873 N/A LEU 242.A N HIS 238.A O no hydrogen 3.046 N/A LEU 242.A N VAL 239.A O no hydrogen 3.127 N/A GLY 243.A N ASP 240.A O no hydrogen 3.048 N/A SER 246.A N LEU 242.A O no hydrogen 3.016 N/A SER 246.A OG ILE 251.A O no hydrogen 2.604 N/A ALA 247.A N GLY 243.A O no hydrogen 3.071 N/A GLN 248.A N PRO 244.A O no hydrogen 3.324 N/A THR 249.A N LEU 245.A O no hydrogen 3.129 N/A GLY 250.A N ALA 247.A O no hydrogen 3.237 N/A ILE 251.A N THR 249.A OG1 no hydrogen 3.134 N/A MET 256.A N ALA 252.A O no hydrogen 2.864 N/A CYS 257.A N VAL 253.A O no hydrogen 2.840 N/A CYS 257.A SG VAL 253.A O no hydrogen 3.275 N/A ALA 258.A N ASP 255.A O no hydrogen 3.017 N/A SER 259.A N ASP 255.A O no hydrogen 3.403 N/A SER 259.A OG PHE 212.A O no hydrogen 3.454 N/A LEU 260.A N MET 256.A O no hydrogen 3.089 N/A LYS 261.A N CYS 257.A O no hydrogen 2.807 N/A GLU 262.A N ALA 258.A O no hydrogen 2.836 N/A LEU 263.A N SER 259.A O no hydrogen 2.783 N/A LEU 264.A N LEU 260.A O no hydrogen 2.780 N/A GLN 265.A N LYS 261.A O no hydrogen 2.987 N/A ASN 266.A N GLU 262.A O no hydrogen 2.653 N/A ASN 266.A ND2 GLU 262.A OE2 no hydrogen 3.099 N/A ARG 271.A N MET 268.A O no hydrogen 3.298 N/A ILE 273.A N SER 276.A O no hydrogen 2.993 N/A LEU 274.A N ASP 209.A OD2 no hydrogen 3.114 N/A SER 276.A N ILE 273.A O no hydrogen 3.100 N/A SER 276.A OG LEU 278.A O no hydrogen 3.025 N/A LEU 278.A N SER 276.A OG no hydrogen 3.071 N/A THR 284.A N ASP 287.A OD2 no hydrogen 3.115 N/A ASP 287.A N THR 284.A OG1 no hydrogen 2.736 N/A VAL 288.A N THR 284.A O no hydrogen 3.094 N/A VAL 289.A N PRO 285.A O no hydrogen 3.237 N/A ARG 290.A N PHE 286.A O no hydrogen 2.889 N/A ARG 290.A NH2 ASP 287.A OD1 no hydrogen 2.584 N/A GLN 291.A N ASP 287.A O no hydrogen 3.023 N/A GLN 291.A NE2 ARG 4.A O no hydrogen 2.867 N/A CYS 292.A N VAL 288.A O no hydrogen 2.886 N/A SER 293.A N VAL 289.A O no hydrogen 2.922 N/A SER 293.A OG VAL 289.A O no hydrogen 2.856 N/A VAL 295.A N ARG 290.A O no hydrogen 3.203 N/A