Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3iei_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N VAL 2.A O no hydrogen 3.169 N/A THR 5.A OG1 VAL 2.A O no hydrogen 2.551 N/A CYS 6.A N ARG 3.A O no hydrogen 3.101 N/A ASP 8.A N GLY 4.A O no hydrogen 3.297 N/A ALA 9.A N THR 5.A O no hydrogen 2.939 N/A SER 10.A N CYS 6.A O no hydrogen 3.001 N/A SER 10.A OG CYS 6.A O no hydrogen 2.862 N/A LEU 11.A N GLU 7.A O no hydrogen 2.781 N/A CYS 12.A N ASP 8.A O no hydrogen 2.980 N/A CYS 12.A SG ASP 8.A O no hydrogen 3.298 N/A CYS 12.A SG TYR 46.A OH no hydrogen 3.889 N/A LYS 13.A N ALA 9.A O no hydrogen 2.936 N/A LYS 13.A NZ GLU 174.A OE2 no hydrogen 2.688 N/A ARG 14.A N SER 10.A O no hydrogen 2.924 N/A ARG 14.A NH1 VAL 31.A O no hydrogen 2.647 N/A PHE 15.A N LEU 11.A O no hydrogen 3.076 N/A ALA 16.A N CYS 12.A O no hydrogen 3.015 N/A VAL 17.A N LYS 13.A O no hydrogen 2.919 N/A SER 18.A N ARG 14.A O no hydrogen 2.857 N/A SER 18.A OG PHE 15.A O no hydrogen 2.631 N/A ILE 19.A N PHE 15.A O no hydrogen 3.285 N/A ILE 19.A N ALA 16.A O no hydrogen 3.261 N/A GLY 20.A N VAL 17.A O no hydrogen 2.998 N/A TYR 21.A N ALA 16.A O no hydrogen 3.033 N/A TYR 21.A OH GLU 276.A OE1 no hydrogen 2.563 N/A TYR 26.A N ASP 24.A OD1 no hydrogen 2.925 N/A TYR 26.A OH ASP 86.A OD1 no hydrogen 3.128 N/A TYR 26.A OH ASP 86.A OD2 no hydrogen 2.505 N/A ILE 27.A N ASP 24.A OD1 no hydrogen 3.158 N/A GLN 28.A NE2 PRO 25.A O no hydrogen 3.059 N/A HIS 29.A N TYR 26.A O no hydrogen 2.959 N/A PHE 30.A N ILE 27.A O no hydrogen 3.049 N/A ARG 32.A NH1 GLU 7.A OE2 no hydrogen 2.698 N/A ARG 32.A NH2 GLU 7.A OE2 no hydrogen 3.429 N/A GLU 41.A N GLU 41.A OE1 no hydrogen 2.811 N/A ILE 42.A N ALA 39.A O no hydrogen 3.057 N/A ASN 43.A ND2 GLU 276.A OE1 no hydrogen 2.871 N/A ARG 44.A N PRO 40.A O no hydrogen 2.983 N/A ARG 44.A NH2 GLU 276.A O no hydrogen 3.133 N/A GLY 45.A N GLU 41.A O no hydrogen 3.017 N/A TYR 46.A N ILE 42.A O no hydrogen 2.915 N/A PHE 47.A N ASN 43.A O no hydrogen 2.912 N/A ALA 48.A N ARG 44.A O no hydrogen 2.911 N/A ARG 49.A N GLY 45.A O no hydrogen 2.980 N/A ARG 49.A NE GLU 174.A OE2 no hydrogen 2.687 N/A VAL 50.A N TYR 46.A O no hydrogen 2.912 N/A HIS 51.A N PHE 47.A O no hydrogen 2.825 N/A GLY 52.A N ALA 48.A O no hydrogen 2.907 N/A VAL 53.A N ARG 49.A O no hydrogen 3.030 N/A SER 54.A N VAL 50.A O no hydrogen 2.930 N/A GLN 55.A N HIS 51.A O no hydrogen 2.836 N/A LEU 56.A N GLY 52.A O no hydrogen 3.201 N/A ILE 57.A N VAL 53.A O no hydrogen 3.012 N/A LYS 58.A N SER 54.A O no hydrogen 2.914 N/A LYS 58.A NZ GLU 87.A OE1 no hydrogen 3.192 N/A LYS 58.A NZ GLU 87.A OE2 no hydrogen 3.305 N/A ALA 59.A N GLN 55.A O no hydrogen 2.974 N/A PHE 60.A N LEU 56.A O no hydrogen 3.034 N/A LEU 61.A N ILE 57.A O no hydrogen 2.967 N/A ARG 62.A N LYS 58.A O no hydrogen 2.937 N/A LYS 63.A N ALA 59.A O no hydrogen 3.109 N/A THR 64.A N PHE 60.A O no hydrogen 3.085 N/A THR 64.A OG1 PHE 60.A O no hydrogen 2.862 N/A THR 64.A OG1 LEU 61.A O no hydrogen 3.495 N/A GLU 65.A N ARG 62.A O no hydrogen 3.364 N/A CYS 66.A N LEU 61.A O no hydrogen 2.949 N/A CYS 66.A SG LEU 61.A O no hydrogen 4.043 N/A HIS 67.A N THR 64.A O no hydrogen 2.932 N/A CYS 68.A N SER 92.A OG no hydrogen 3.241 N/A CYS 68.A SG THR 64.A OG1 no hydrogen 3.420 N/A GLN 69.A N PRO 168.A O no hydrogen 3.054 N/A ILE 70.A N LYS 93.A O no hydrogen 3.170 N/A VAL 71.A N LEU 170.A O no hydrogen 2.742 N/A ASN 72.A N PHE 95.A O no hydrogen 2.767 N/A LEU 73.A N ILE 172.A O no hydrogen 2.807 N/A ALA 75.A N VAL 97.A O no hydrogen 3.089 N/A GLY 76.A N ASP 98.A OD1 no hydrogen 2.862 N/A ASP 78.A N ALA 75.A O no hydrogen 3.044 N/A THR 79.A OG1 ASP 24.A OD1 no hydrogen 3.388 N/A THR 79.A OG1 ASP 24.A OD2 no hydrogen 2.649 N/A THR 80.A N ASP 78.A OD2 no hydrogen 2.949 N/A THR 80.A OG1 ASP 78.A OD1 no hydrogen 3.305 N/A THR 80.A OG1 ASP 78.A OD2 no hydrogen 2.496 N/A TRP 82.A NE1 LEU 116.A O no hydrogen 2.859 N/A ARG 83.A N THR 79.A O no hydrogen 3.091 N/A ARG 83.A NE THR 79.A OG1 no hydrogen 2.923 N/A LEU 84.A N THR 80.A O no hydrogen 2.862 N/A LYS 85.A N PHE 81.A O no hydrogen 3.076 N/A LYS 85.A NZ GLU 122.A OE1 no hydrogen 2.992 N/A ASP 86.A N TRP 82.A O no hydrogen 3.098 N/A GLU 87.A N ARG 83.A O no hydrogen 3.299 N/A GLU 87.A N LEU 84.A O no hydrogen 2.873 N/A ASP 88.A N LYS 85.A O no hydrogen 2.969 N/A LEU 89.A N LEU 84.A O no hydrogen 2.879 N/A SER 92.A N CYS 68.A O no hydrogen 2.858 N/A SER 92.A OG CYS 66.A O no hydrogen 3.522 N/A LYS 93.A NZ ASP 137.A OD1 no hydrogen 2.836 N/A LYS 93.A NZ SER 138.A O no hydrogen 3.056 N/A LYS 93.A NZ CYS 161.A O no hydrogen 2.760 N/A TYR 94.A N ARG 140.A O no hydrogen 2.983 N/A PHE 95.A N ILE 70.A O no hydrogen 2.712 N/A GLU 96.A N ALA 142.A O no hydrogen 2.794 N/A VAL 97.A N ASN 72.A O no hydrogen 2.936 N/A ASP 98.A N ILE 144.A O no hydrogen 3.117 N/A PHE 99.A N ASP 98.A OD2 no hydrogen 2.678 N/A VAL 103.A N PHE 99.A O no hydrogen 2.981 N/A THR 104.A N PRO 100.A O no hydrogen 2.877 N/A THR 104.A OG1 PRO 100.A O no hydrogen 3.086 N/A ARG 105.A N MET 101.A O no hydrogen 3.169 N/A LYS 106.A N ILE 102.A O no hydrogen 3.006 N/A LYS 106.A NZ GLY 76.A O no hydrogen 2.933 N/A LYS 106.A NZ ASP 78.A O no hydrogen 2.773 N/A LYS 106.A NZ GLU 96.A OE1 no hydrogen 2.645 N/A LYS 106.A NZ GLU 96.A OE2 no hydrogen 3.269 N/A LEU 107.A N VAL 103.A O no hydrogen 2.830 N/A HIS 108.A N THR 104.A O no hydrogen 3.021 N/A SER 109.A N ARG 105.A O no hydrogen 3.163 N/A SER 109.A OG HIS 29.A O no hydrogen 3.087 N/A ILE 110.A N LYS 106.A O no hydrogen 3.082 N/A LYS 111.A N LEU 107.A O no hydrogen 2.808 N/A CYS 112.A N HIS 108.A O no hydrogen 2.969 N/A CYS 112.A SG HIS 108.A O no hydrogen 3.315 N/A LYS 113.A N ILE 110.A O no hydrogen 3.293 N/A LEU 116.A N LYS 113.A O no hydrogen 2.842 N/A SER 117.A N LYS 113.A O no hydrogen 3.122 N/A SER 117.A OG LYS 113.A O no hydrogen 3.523 N/A SER 118.A N PRO 114.A O no hydrogen 2.875 N/A SER 118.A OG PRO 114.A O no hydrogen 2.905 N/A LEU 121.A N SER 117.A O no hydrogen 2.985 N/A GLU 122.A N SER 118.A O no hydrogen 2.843 N/A LEU 123.A N ILE 120.A O no hydrogen 3.202 N/A HIS 124.A N LEU 121.A O no hydrogen 3.127 N/A ASP 127.A N ASP 127.A OD1 no hydrogen 2.597 N/A HIS 134.A ND1 THR 104.A OG1 no hydrogen 3.145 N/A LEU 136.A N VAL 143.A O no hydrogen 2.842 N/A SER 138.A OG TYR 141.A O no hydrogen 2.671 N/A ARG 140.A NE SER 91.A O no hydrogen 3.355 N/A ARG 140.A NE SER 92.A O no hydrogen 2.872 N/A ARG 140.A NH2 SER 91.A O no hydrogen 2.775 N/A TYR 141.A N SER 138.A OG no hydrogen 3.214 N/A TYR 141.A OH GLU 96.A OE1 no hydrogen 2.751 N/A ALA 142.A N TYR 94.A O no hydrogen 2.944 N/A VAL 143.A N LEU 136.A O no hydrogen 2.862 N/A ILE 144.A N GLU 96.A O no hydrogen 2.816 N/A GLY 145.A N HIS 134.A O no hydrogen 2.788 N/A ALA 146.A N ASP 98.A O no hydrogen 2.841 N/A ASP 147.A N GLU 153.A OE1 no hydrogen 2.897 N/A ARG 149.A N ASP 147.A OD1 no hydrogen 2.973 N/A ARG 149.A NE ASP 147.A OD1 no hydrogen 2.852 N/A ARG 149.A NE ASP 147.A OD2 no hydrogen 3.366 N/A ARG 149.A NH2 ASP 147.A OD2 no hydrogen 2.797 N/A ASP 150.A N ASP 147.A O no hydrogen 2.895 N/A GLU 153.A N ASP 150.A OD1 no hydrogen 3.235 N/A LEU 154.A N ASP 150.A O no hydrogen 3.041 N/A GLU 155.A N LEU 151.A O no hydrogen 2.949 N/A GLU 156.A N SER 152.A O no hydrogen 2.955 N/A LYS 157.A N GLU 153.A O no hydrogen 3.003 N/A LYS 157.A NZ GLY 145.A O no hydrogen 2.900 N/A LYS 157.A NZ GLU 153.A OE2 no hydrogen 2.638 N/A LEU 158.A N LEU 154.A O no hydrogen 2.981 N/A LYS 159.A N GLU 155.A O no hydrogen 2.913 N/A LYS 159.A NZ GLU 155.A OE2 no hydrogen 2.739 N/A LYS 160.A N GLU 156.A O no hydrogen 2.902 N/A CYS 161.A N LYS 157.A O no hydrogen 3.225 N/A CYS 161.A SG LYS 157.A O no hydrogen 3.590 N/A ASN 162.A N LYS 159.A O no hydrogen 2.902 N/A MET 163.A N LEU 158.A O no hydrogen 3.118 N/A GLN 166.A N ASN 164.A OD1 no hydrogen 2.947 N/A LEU 167.A N ASN 164.A O no hydrogen 3.209 N/A THR 169.A N ARG 198.A O no hydrogen 3.081 N/A THR 169.A OG1 GLN 69.A OE1 no hydrogen 3.054 N/A THR 169.A OG1 LEU 167.A O no hydrogen 2.897 N/A LEU 170.A N GLN 69.A O no hydrogen 2.899 N/A LEU 171.A N MET 200.A O no hydrogen 2.829 N/A ILE 172.A N VAL 71.A O no hydrogen 2.848 N/A ALA 173.A N ILE 202.A O no hydrogen 2.824 N/A CYS 175.A N TYR 204.A O no hydrogen 2.720 N/A TYR 179.A N VAL 176.A O no hydrogen 3.087 N/A MET 180.A N LEU 177.A O no hydrogen 3.160 N/A THR 181.A N GLN 184.A OE1 no hydrogen 3.067 N/A GLN 184.A N THR 181.A OG1 no hydrogen 3.153 N/A SER 185.A N THR 181.A O no hydrogen 3.005 N/A SER 185.A OG THR 181.A O no hydrogen 3.437 N/A SER 185.A OG PRO 182.A O no hydrogen 3.291 N/A ALA 186.A N PRO 182.A O no hydrogen 3.067 N/A ASN 187.A N GLU 183.A O no hydrogen 2.899 N/A LEU 188.A N GLN 184.A O no hydrogen 3.031 N/A LEU 189.A N SER 185.A O no hydrogen 2.936 N/A LYS 190.A N ALA 186.A O no hydrogen 2.928 N/A TRP 191.A N ASN 187.A O no hydrogen 2.797 N/A TRP 191.A NE1 GLU 155.A OE1 no hydrogen 2.976 N/A ALA 192.A N LEU 188.A O no hydrogen 2.971 N/A ALA 193.A N LEU 189.A O no hydrogen 3.031 N/A ASN 194.A N LYS 190.A O no hydrogen 2.846 N/A SER 195.A N TRP 191.A O no hydrogen 2.929 N/A SER 195.A OG TRP 191.A O no hydrogen 2.651 N/A PHE 196.A N ALA 192.A O no hydrogen 3.246 N/A ARG 198.A NH1 GLU 302.A OE1 no hydrogen 3.068 N/A ARG 198.A NH2 GLN 166.A O no hydrogen 2.897 N/A ALA 199.A N LYS 298.A O no hydrogen 3.000 N/A MET 200.A N THR 169.A O no hydrogen 3.000 N/A PHE 201.A N ALA 296.A O no hydrogen 2.873 N/A ILE 202.A N LEU 171.A O no hydrogen 2.827 N/A ASN 203.A N CYS 294.A O no hydrogen 2.835 N/A TYR 204.A N ALA 173.A O no hydrogen 3.044 N/A GLU 205.A N CYS 292.A O no hydrogen 3.216 N/A GLN 206.A N GLN 206.A OE1 no hydrogen 2.897 N/A VAL 207.A N HIS 290.A O no hydrogen 2.932 N/A ASN 208.A ND2 ARG 289.A O no hydrogen 2.790 N/A MET 209.A N CYS 234.A O no hydrogen 3.172 N/A GLY 214.A N ASP 211.A OD1 no hydrogen 2.939 N/A GLN 215.A N ASP 211.A O no hydrogen 2.942 N/A GLN 215.A NE2 MET 209.A O no hydrogen 2.871 N/A ILE 216.A N ARG 212.A O no hydrogen 2.961 N/A MET 217.A N PHE 213.A O no hydrogen 3.056 N/A ILE 218.A N GLY 214.A O no hydrogen 2.975 N/A GLU 219.A N GLN 215.A O no hydrogen 3.097 N/A ASN 220.A N ILE 216.A O no hydrogen 2.960 N/A LEU 221.A N MET 217.A O no hydrogen 3.137 N/A ARG 222.A N ILE 218.A O no hydrogen 2.876 N/A ARG 223.A N GLU 219.A O no hydrogen 2.917 N/A ARG 224.A N LEU 221.A O no hydrogen 3.163 N/A GLN 225.A N ARG 222.A O no hydrogen 3.303 N/A CYS 226.A N LEU 221.A O no hydrogen 3.040 N/A CYS 226.A SG GLY 1.A O no hydrogen 3.707 N/A GLY 230.A N VAL 178.A O no hydrogen 2.819 N/A VAL 231.A N LEU 228.A O no hydrogen 3.025 N/A THR 233.A N GLY 230.A O no hydrogen 3.129 N/A CYS 234.A N VAL 231.A O no hydrogen 2.780 N/A CYS 234.A SG GLU 205.A OE2 no hydrogen 3.725 N/A CYS 234.A SG GLN 206.A O no hydrogen 3.350 N/A CYS 234.A SG GLY 230.A O no hydrogen 4.022 N/A LYS 235.A N GLU 232.A O no hydrogen 3.377 N/A SER 236.A N SER 239.A OG no hydrogen 2.981 N/A SER 239.A N SER 236.A OG no hydrogen 2.977 N/A SER 239.A OG THR 233.A O no hydrogen 2.600 N/A SER 239.A OG SER 236.A O no hydrogen 2.921 N/A GLN 240.A N SER 236.A O no hydrogen 3.035 N/A GLN 240.A NE2 GLU 205.A OE2 no hydrogen 2.988 N/A GLN 240.A NE2 GLN 206.A O no hydrogen 3.177 N/A LYS 241.A N LEU 237.A O no hydrogen 2.948 N/A LYS 241.A NZ GLU 238.A OE1 no hydrogen 3.031 N/A GLU 242.A N GLU 238.A O no hydrogen 2.896 N/A ARG 243.A N SER 239.A O no hydrogen 3.137 N/A ARG 243.A NH1 GLU 205.A OE2 no hydrogen 2.728 N/A ARG 243.A NH1 GLN 240.A OE1 no hydrogen 2.933 N/A ARG 243.A NH2 SER 185.A OG no hydrogen 2.938 N/A LEU 245.A N LYS 241.A O no hydrogen 3.015 N/A SER 246.A N GLU 242.A O no hydrogen 2.849 N/A SER 246.A OG GLU 242.A O no hydrogen 2.798 N/A ASN 247.A N LEU 244.A O no hydrogen 3.216 N/A ASN 247.A ND2 ARG 243.A O no hydrogen 2.789 N/A TRP 249.A N LEU 244.A O no hydrogen 3.325 N/A TRP 249.A NE1 LEU 189.A O no hydrogen 2.989 N/A GLU 250.A N THR 297.A O no hydrogen 2.892 N/A THR 251.A N THR 297.A O no hydrogen 3.148 N/A THR 251.A OG1 THR 297.A OG1 no hydrogen 2.609 N/A SER 253.A N TRP 295.A O no hydrogen 2.875 N/A VAL 255.A N LEU 293.A O no hydrogen 2.990 N/A MET 257.A N MET 288.A O no hydrogen 3.126 N/A MET 257.A N TYR 291.A O no hydrogen 3.002 N/A GLU 259.A N ASP 256.A OD2 no hydrogen 2.985 N/A LEU 260.A N ASP 256.A O no hydrogen 3.226 N/A TYR 261.A N MET 257.A O no hydrogen 2.934 N/A TYR 261.A OH GLU 273.A OE2 no hydrogen 2.688 N/A ASN 262.A N MET 258.A O no hydrogen 2.807 N/A ARG 263.A N GLU 259.A O no hydrogen 2.947 N/A ARG 263.A N LEU 260.A O no hydrogen 3.065 N/A ARG 263.A NE GLU 259.A OE2 no hydrogen 3.057 N/A LEU 264.A N TYR 261.A O no hydrogen 3.167 N/A VAL 269.A N PRO 265.A O no hydrogen 3.146 N/A SER 270.A N ARG 266.A O no hydrogen 2.880 N/A SER 270.A OG ARG 266.A O no hydrogen 3.049 N/A ARG 271.A N ALA 267.A O no hydrogen 3.032 N/A ARG 271.A NE GLU 268.A OE1 no hydrogen 3.303 N/A ARG 271.A NH1 GLY 20.A O no hydrogen 2.985 N/A ARG 271.A NH1 TYR 21.A O no hydrogen 3.366 N/A ARG 271.A NH2 TYR 21.A O no hydrogen 2.859 N/A ARG 271.A NH2 GLU 268.A OE2 no hydrogen 2.957 N/A ILE 272.A N GLU 268.A O no hydrogen 2.922 N/A GLU 273.A N VAL 269.A O no hydrogen 2.860 N/A SER 274.A N SER 270.A O no hydrogen 3.038 N/A SER 274.A N ARG 271.A O no hydrogen 3.236 N/A SER 274.A OG ARG 271.A O no hydrogen 2.606 N/A LEU 275.A N ILE 272.A O no hydrogen 3.100 N/A GLU 280.A N ASP 279.A OD1 no hydrogen 2.799 N/A GLU 282.A N GLU 280.A OE2 no hydrogen 3.268 N/A GLU 285.A N MET 281.A O no hydrogen 2.818 N/A GLN 286.A N GLU 282.A O no hydrogen 2.863 N/A LEU 287.A N LEU 283.A O no hydrogen 2.926 N/A MET 288.A N LEU 284.A O no hydrogen 2.881 N/A ARG 289.A N GLU 285.A O no hydrogen 2.878 N/A ARG 289.A NE GLU 285.A OE2 no hydrogen 2.779 N/A ARG 289.A NH1 ASP 256.A OD1 no hydrogen 2.827 N/A ARG 289.A NH2 GLU 285.A OE2 no hydrogen 3.222 N/A HIS 290.A N LEU 287.A O no hydrogen 3.058 N/A HIS 290.A ND1 GLN 286.A O no hydrogen 2.758 N/A HIS 290.A NE2 ASP 211.A OD1 no hydrogen 2.757 N/A HIS 290.A NE2 ASP 211.A OD2 no hydrogen 2.978 N/A TYR 291.A N MET 288.A O no hydrogen 3.440 N/A CYS 292.A N GLU 205.A O no hydrogen 2.737 N/A CYS 292.A SG GLU 205.A O no hydrogen 3.545 N/A CYS 292.A SG GLN 206.A O no hydrogen 3.866 N/A LEU 293.A N VAL 255.A O no hydrogen 2.910 N/A CYS 294.A N ASN 203.A O no hydrogen 2.778 N/A TRP 295.A N SER 253.A O no hydrogen 2.907 N/A TRP 295.A NE1 ILE 308.A O no hydrogen 3.077 N/A ALA 296.A N PHE 201.A O no hydrogen 2.912 N/A THR 297.A N THR 251.A O no hydrogen 3.380 N/A THR 297.A N THR 251.A OG1 no hydrogen 2.913 N/A THR 297.A OG1 THR 251.A OG1 no hydrogen 2.609 N/A LYS 298.A N ALA 199.A O no hydrogen 2.959 N/A LYS 298.A NZ ALA 193.A O no hydrogen 3.013 N/A LYS 298.A NZ PHE 196.A O no hydrogen 2.847 N/A GLY 299.A N GLU 250.A OE1 no hydrogen 2.846 N/A GLY 304.A N GLY 300.A O no hydrogen 2.696 N/A GLY 304.A N ASN 301.A O no hydrogen 3.295 N/A LEU 305.A N GLY 300.A O no hydrogen 3.004 N/A GLU 307.A N GLY 304.A O no hydrogen 3.155 N/A ILE 308.A N LEU 305.A O no hydrogen 3.104 N/A