Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ie7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N ASP 133.A OD1 no hydrogen 2.863 N/A ILE 3.A N LYS 54.A O no hydrogen 3.375 N/A THR 5.A N GLU 56.A O no hydrogen 3.070 N/A THR 5.A OG1 GLY 41.A O no hydrogen 3.345 N/A THR 5.A OG1 SER 45.A OG no hydrogen 2.677 N/A ILE 6.A N VAL 135.A O no hydrogen 2.842 N/A THR 7.A N LEU 58.A O no hydrogen 2.915 N/A ASN 9.A ND2 ALA 109.A O no hydrogen 3.026 N/A ALA 11.A N GLY 38.A O no hydrogen 3.101 N/A ILE 12.A N ARG 91.A O no hydrogen 2.916 N/A ASP 13.A N ASP 36.A O no hydrogen 2.796 N/A ARG 14.A N CYS 93.A O no hydrogen 2.949 N/A ARG 14.A NE GLU 92.A OE2 no hydrogen 2.959 N/A ARG 14.A NH2 GLU 92.A OE2 no hydrogen 3.067 N/A LEU 15.A N GLU 34.A O no hydrogen 2.719 N/A LEU 16.A N VAL 95.A O no hydrogen 2.747 N/A PHE 17.A N LYS 32.A O no hydrogen 3.062 N/A ILE 18.A N LEU 97.A O no hydrogen 2.878 N/A GLY 20.A N ASP 100.A OD2 no hydrogen 2.989 N/A GLU 23.A N ASN 28.A OD1 no hydrogen 2.981 N/A ASN 28.A ND2 GLU 23.A O no hydrogen 2.962 N/A ILE 31.A N PHE 17.A O no hydrogen 2.574 N/A LYS 32.A NZ GLU 34.A OE2 no hydrogen 3.528 N/A GLU 34.A N LEU 15.A O no hydrogen 3.053 N/A ASP 36.A N ASP 13.A O no hydrogen 2.964 N/A CYS 37.A SG ASP 36.A OD1 no hydrogen 3.865 N/A GLY 38.A N ALA 11.A O no hydrogen 2.556 N/A LYS 40.A NZ ASP 166.A O no hydrogen 2.627 N/A LEU 42.A N GLY 39.A O no hydrogen 3.052 N/A HIS 43.A N GLY 39.A O no hydrogen 3.239 N/A VAL 44.A N LYS 40.A O no hydrogen 3.005 N/A SER 45.A N GLY 41.A O no hydrogen 2.973 N/A SER 45.A OG THR 5.A OG1 no hydrogen 2.677 N/A SER 45.A OG ASN 55.A OD1 no hydrogen 3.472 N/A GLY 46.A N LEU 42.A O no hydrogen 2.882 N/A VAL 47.A N HIS 43.A O no hydrogen 3.025 N/A LEU 48.A N VAL 44.A O no hydrogen 2.983 N/A SER 49.A N SER 45.A O no hydrogen 2.890 N/A SER 49.A OG SER 45.A O no hydrogen 3.049 N/A SER 49.A OG HIS 77.A O no hydrogen 2.994 N/A LYS 50.A N GLY 46.A O no hydrogen 3.126 N/A LYS 50.A N VAL 47.A O no hydrogen 3.045 N/A LYS 50.A NZ PHE 285.A O no hydrogen 3.274 N/A PHE 51.A N VAL 47.A O no hydrogen 3.311 N/A PHE 51.A N LEU 48.A O no hydrogen 3.074 N/A GLY 52.A N LEU 48.A O no hydrogen 3.124 N/A GLY 52.A N SER 49.A O no hydrogen 3.037 N/A ILE 53.A N LEU 48.A O no hydrogen 3.301 N/A ASN 55.A ND2 SER 49.A OG no hydrogen 3.126 N/A ASN 55.A ND2 ILE 53.A O no hydrogen 3.006 N/A GLU 56.A N ILE 3.A O no hydrogen 2.855 N/A ALA 57.A N ASN 79.A O no hydrogen 2.857 N/A LEU 58.A N THR 5.A O no hydrogen 2.762 N/A ALA 61.A N LEU 83.A O no hydrogen 2.982 N/A GLY 62.A N THR 90.A OG1 no hydrogen 2.928 N/A SER 63.A N GLU 85.A O no hydrogen 3.146 N/A SER 63.A OG ASP 64.A OD1 no hydrogen 3.162 N/A SER 63.A OG GLU 85.A O no hydrogen 3.452 N/A ASP 64.A N THR 88.A O no hydrogen 2.945 N/A ASN 65.A ND2 THR 90.A O no hydrogen 2.983 N/A LEU 66.A N SER 63.A O no hydrogen 3.316 N/A LEU 69.A N ASN 65.A O no hydrogen 3.191 N/A TYR 70.A N LEU 66.A O no hydrogen 2.881 N/A ALA 71.A N ASP 67.A O no hydrogen 2.911 N/A ILE 72.A N LYS 68.A O no hydrogen 3.093 N/A LEU 73.A N LEU 69.A O no hydrogen 2.938 N/A LYS 74.A N TYR 70.A O no hydrogen 2.940 N/A GLU 75.A N ALA 71.A O no hydrogen 3.157 N/A LYS 76.A N ILE 72.A O no hydrogen 3.110 N/A LYS 76.A N LEU 73.A O no hydrogen 3.149 N/A HIS 77.A N LYS 74.A O no hydrogen 3.054 N/A ILE 78.A N LEU 73.A O no hydrogen 2.895 N/A HIS 80.A ND1 ILE 78.A O no hydrogen 3.281 N/A ASP 81.A N ALA 57.A O no hydrogen 3.016 N/A LEU 83.A N GLY 59.A O no hydrogen 2.835 N/A GLU 85.A N ALA 61.A O no hydrogen 2.863 N/A GLY 87.A N SER 63.A OG no hydrogen 3.109 N/A THR 88.A OG1 GLU 85.A O no hydrogen 2.925 N/A THR 90.A N ASN 65.A OD1 no hydrogen 2.964 N/A ARG 91.A NE ASN 9.A O no hydrogen 3.056 N/A ARG 91.A NE PRO 10.A O no hydrogen 3.134 N/A ARG 91.A NH1 GLU 108.A O no hydrogen 3.029 N/A ARG 91.A NH2 ASN 9.A O no hydrogen 3.063 N/A GLU 92.A N GLU 108.A OE1 no hydrogen 2.876 N/A CYS 93.A N ILE 12.A O no hydrogen 2.921 N/A PHE 94.A N ILE 106.A O no hydrogen 2.860 N/A VAL 95.A N ARG 14.A O no hydrogen 2.991 N/A VAL 96.A N THR 105.A O no hydrogen 2.855 N/A LEU 97.A N LEU 16.A O no hydrogen 3.057 N/A SER 98.A OG ILE 18.A O no hydrogen 2.675 N/A ASP 100.A N SER 98.A OG no hydrogen 3.046 N/A THR 101.A N SER 98.A O no hydrogen 3.344 N/A THR 105.A N VAL 96.A O no hydrogen 2.971 N/A GLU 108.A N GLU 92.A O no hydrogen 3.212 N/A SER 114.A N GLU 85.A OE1 no hydrogen 2.983 N/A SER 114.A OG GLU 85.A OE1 no hydrogen 3.103 N/A SER 114.A OG GLU 85.A OE2 no hydrogen 3.223 N/A GLN 115.A NE2 ASP 119.A OD1 no hydrogen 3.255 N/A GLN 115.A NE2 ASP 119.A OD2 no hydrogen 3.544 N/A ASN 117.A N SER 114.A OG no hydrogen 3.224 N/A ASN 117.A ND2 VAL 84.A O no hydrogen 3.067 N/A ASN 117.A ND2 GLU 85.A OE1 no hydrogen 2.764 N/A LYS 118.A N SER 114.A O no hydrogen 3.019 N/A LYS 118.A NZ HIS 143.A O no hydrogen 3.213 N/A LYS 118.A NZ ASP 148.A OD2 no hydrogen 2.710 N/A ASP 119.A N GLN 115.A O no hydrogen 2.862 N/A ASN 120.A N THR 116.A O no hydrogen 2.825 N/A ASN 120.A ND2 ASN 117.A OD1 no hydrogen 3.408 N/A LEU 121.A N ASN 117.A O no hydrogen 2.973 N/A LEU 122.A N LYS 118.A O no hydrogen 3.458 N/A LYS 123.A N ASP 119.A O no hydrogen 3.088 N/A GLN 124.A N ASN 120.A O no hydrogen 2.817 N/A GLN 124.A NE2 ASP 81.A O no hydrogen 3.051 N/A ILE 125.A N LEU 121.A O no hydrogen 2.897 N/A ALA 126.A N LEU 122.A O no hydrogen 3.007 N/A LYS 127.A N LYS 123.A O no hydrogen 3.154 N/A LYS 128.A N GLN 124.A O no hydrogen 2.908 N/A LYS 128.A NZ GLU 56.A OE1 no hydrogen 2.811 N/A LYS 128.A NZ ASP 81.A OD2 no hydrogen 2.830 N/A VAL 129.A N ILE 125.A O no hydrogen 3.003 N/A LYS 130.A N ASP 133.A OD2 no hydrogen 2.731 N/A GLU 132.A N GLU 132.A OE1 no hydrogen 2.861 N/A ASP 133.A N LYS 130.A O no hydrogen 2.947 N/A VAL 135.A N TYR 4.A O no hydrogen 2.768 N/A ILE 136.A N GLY 164.A O no hydrogen 2.921 N/A ALA 137.A N ILE 6.A O no hydrogen 3.471 N/A GLY 138.A N ASP 166.A O no hydrogen 3.246 N/A TYR 144.A N PRO 141.A O no hydrogen 3.161 N/A THR 145.A N ASP 148.A OD2 no hydrogen 3.028 N/A ASP 148.A N THR 145.A OG1 no hydrogen 3.022 N/A PHE 149.A N THR 145.A O no hydrogen 2.960 N/A LYS 150.A N LEU 146.A O no hydrogen 2.857 N/A GLU 151.A N SER 147.A O no hydrogen 3.091 N/A LEU 152.A N ASP 148.A O no hydrogen 3.052 N/A LEU 153.A N PHE 149.A O no hydrogen 2.883 N/A ARG 154.A N LYS 150.A O no hydrogen 2.909 N/A THR 155.A N GLU 151.A O no hydrogen 2.876 N/A THR 155.A OG1 GLU 151.A O no hydrogen 2.774 N/A VAL 156.A N LEU 152.A O no hydrogen 3.032 N/A LYS 157.A N LEU 153.A O no hydrogen 2.871 N/A ALA 158.A N ARG 154.A O no hydrogen 2.991 N/A THR 159.A N VAL 156.A O no hydrogen 3.086 N/A THR 159.A OG1 VAL 156.A O no hydrogen 2.674 N/A GLY 160.A N LYS 157.A O no hydrogen 3.069 N/A ALA 161.A N THR 159.A OG1 no hydrogen 3.141 N/A PHE 162.A N ASP 133.A O no hydrogen 3.106 N/A LEU 163.A N ASP 180.A OD2 no hydrogen 2.859 N/A GLY 164.A N VAL 134.A O no hydrogen 2.872 N/A CYS 165.A N PHE 181.A O no hydrogen 2.760 N/A ASP 166.A N ILE 136.A O no hydrogen 2.939 N/A ASN 167.A ND2 ILE 136.A O no hydrogen 3.520 N/A TYR 171.A OH TYR 144.A O no hydrogen 3.176 N/A LEU 172.A N SER 168.A O no hydrogen 3.068 N/A ASN 173.A N GLY 169.A O no hydrogen 3.038 N/A LEU 174.A N GLU 170.A O no hydrogen 2.948 N/A ALA 175.A N TYR 171.A O no hydrogen 3.059 N/A VAL 176.A N LEU 172.A O no hydrogen 3.037 N/A GLU 177.A N ASN 173.A O no hydrogen 2.985 N/A ASP 180.A N LEU 163.A O no hydrogen 2.778 N/A PHE 181.A N LEU 163.A O no hydrogen 3.205 N/A ILE 182.A N TYR 213.A O no hydrogen 3.433 N/A LYS 183.A NZ LYS 183.A O no hydrogen 2.720 N/A LYS 183.A NZ SER 217.A OG no hydrogen 2.891 N/A ASN 185.A N GLU 188.A OE1 no hydrogen 2.913 N/A ASP 187.A N ASN 185.A OD1 no hydrogen 2.830 N/A GLU 188.A N ASN 185.A OD1 no hydrogen 2.732 N/A VAL 189.A N ASN 185.A O no hydrogen 3.044 N/A ILE 190.A N ASP 187.A O no hydrogen 3.258 N/A ALA 191.A N GLU 188.A O no hydrogen 3.165 N/A ILE 192.A N VAL 189.A O no hydrogen 3.025 N/A LEU 193.A N ILE 190.A O no hydrogen 3.059 N/A ASP 194.A N ASN 203.A OD1 no hydrogen 3.028 N/A LYS 196.A N ASP 194.A OD1 no hydrogen 3.215 N/A THR 197.A N ASP 194.A O no hydrogen 2.809 N/A THR 197.A OG1 ASP 194.A OD2 no hydrogen 2.750 N/A GLU 202.A N SER 199.A OG no hydrogen 3.350 N/A ASN 203.A N SER 199.A O no hydrogen 2.985 N/A ASN 203.A ND2 THR 197.A O no hydrogen 2.656 N/A ASN 203.A ND2 SER 199.A O no hydrogen 2.968 N/A ILE 204.A N LEU 200.A O no hydrogen 2.819 N/A ARG 205.A N GLU 201.A O no hydrogen 2.820 N/A ARG 205.A NH2 LEU 302.A O no hydrogen 2.907 N/A THR 206.A N GLU 202.A O no hydrogen 2.860 N/A THR 206.A OG1 GLU 202.A O no hydrogen 2.891 N/A THR 206.A OG1 GLU 202.A OE2 no hydrogen 3.467 N/A LEU 207.A N ASN 203.A O no hydrogen 2.910 N/A ALA 208.A N ILE 204.A O no hydrogen 2.863 N/A GLU 209.A N THR 206.A O no hydrogen 3.124 N/A LYS 210.A N LEU 207.A O no hydrogen 2.935 N/A TYR 213.A N ASP 180.A O no hydrogen 2.866 N/A LEU 214.A N ALA 226.A O no hydrogen 3.106 N/A VAL 215.A N ILE 182.A O no hydrogen 3.213 N/A VAL 216.A N ILE 224.A O no hydrogen 2.922 N/A SER 217.A N PRO 184.A O no hydrogen 2.980 N/A LEU 218.A N GLY 222.A O no hydrogen 2.785 N/A LYS 221.A N LEU 218.A O no hydrogen 3.056 N/A LYS 221.A NZ GLU 186.A OE1 no hydrogen 3.103 N/A LYS 221.A NZ LEU 218.A O no hydrogen 2.994 N/A GLY 222.A N GLY 219.A O no hydrogen 2.972 N/A SER 223.A N VAL 234.A O no hydrogen 3.007 N/A ILE 224.A N VAL 216.A O no hydrogen 3.037 N/A CYS 225.A N TYR 232.A O no hydrogen 2.915 N/A CYS 225.A SG LEU 214.A O no hydrogen 3.631 N/A ALA 226.A N LEU 214.A O no hydrogen 2.766 N/A HIS 227.A N LYS 230.A O no hydrogen 2.996 N/A LYS 230.A N HIS 227.A O no hydrogen 2.968 N/A TYR 232.A N CYS 225.A O no hydrogen 2.755 N/A GLN 233.A N ILE 300.A O no hydrogen 2.790 N/A VAL 234.A N SER 223.A O no hydrogen 2.811 N/A ILE 235.A N SER 298.A O no hydrogen 2.882 N/A ARG 242.A N VAL 278.A O no hydrogen 2.738 N/A ASN 243.A N VAL 278.A O no hydrogen 3.161 N/A ASN 243.A ND2 GLN 280.A O no hydrogen 2.647 N/A THR 245.A N ASN 243.A OD1 no hydrogen 2.983 N/A THR 245.A OG1 ASN 243.A OD1 no hydrogen 2.792 N/A ALA 247.A N ASP 244.A O no hydrogen 3.234 N/A VAL 250.A N GLY 246.A O no hydrogen 3.085 N/A PHE 251.A N ALA 247.A O no hydrogen 2.950 N/A VAL 252.A N GLY 248.A O no hydrogen 2.914 N/A GLY 253.A N ASP 249.A O no hydrogen 2.978 N/A ALA 254.A N VAL 250.A O no hydrogen 2.906 N/A PHE 255.A N PHE 251.A O no hydrogen 2.767 N/A ILE 256.A N VAL 252.A O no hydrogen 2.918 N/A ALA 257.A N GLY 253.A O no hydrogen 2.993 N/A GLY 258.A N ALA 254.A O no hydrogen 2.930 N/A LEU 259.A N PHE 255.A O no hydrogen 3.049 N/A ALA 260.A N ILE 256.A O no hydrogen 2.860 N/A THR 266.A N PRO 262.A O no hydrogen 2.977 N/A THR 266.A OG1 PRO 262.A O no hydrogen 3.293 N/A LEU 267.A N ILE 263.A O no hydrogen 2.974 N/A LYS 268.A N THR 264.A O no hydrogen 3.003 N/A VAL 269.A N GLU 265.A O no hydrogen 2.873 N/A ALA 270.A N THR 266.A O no hydrogen 2.924 N/A THR 271.A N LEU 267.A O no hydrogen 2.941 N/A THR 271.A OG1 LEU 267.A O no hydrogen 2.793 N/A GLY 272.A N LYS 268.A O no hydrogen 2.823 N/A CYS 273.A N VAL 269.A O no hydrogen 3.013 N/A CYS 273.A SG VAL 269.A O no hydrogen 3.410 N/A SER 274.A N ALA 270.A O no hydrogen 3.052 N/A SER 274.A OG ALA 270.A O no hydrogen 2.911 N/A SER 274.A OG THR 271.A O no hydrogen 3.091 N/A ALA 275.A N THR 271.A O no hydrogen 2.894 N/A SER 276.A N GLY 272.A O no hydrogen 3.087 N/A SER 276.A OG ASP 286.A O no hydrogen 3.297 N/A LYS 277.A N CYS 273.A O no hydrogen 2.977 N/A LYS 277.A NZ THR 245.A O no hydrogen 2.840 N/A LYS 277.A NZ LYS 277.A O no hydrogen 3.051 N/A LYS 277.A NZ ASP 281.A O no hydrogen 2.830 N/A VAL 278.A N SER 274.A O no hydrogen 3.138 N/A GLN 279.A NE2 SER 276.A O no hydrogen 3.095 N/A GLN 280.A NE2 SER 98.A O no hydrogen 3.421 N/A GLN 280.A NE2 ASP 99.A OD1 no hydrogen 2.813 N/A SER 283.A N ASP 281.A OD1 no hydrogen 2.794 N/A SER 283.A OG ASP 36.A OD2 no hydrogen 2.745 N/A SER 284.A N ASP 281.A OD1 no hydrogen 2.729 N/A SER 284.A OG ASP 281.A OD1 no hydrogen 3.535 N/A SER 284.A OG ASP 281.A OD2 no hydrogen 2.770 N/A ASP 286.A N SER 276.A OG no hydrogen 2.777 N/A GLU 288.A N ASP 286.A OD1 no hydrogen 2.557 N/A ALA 289.A N ASP 286.A OD1 no hydrogen 3.248 N/A ALA 290.A N ASP 286.A O no hydrogen 2.899 N/A GLY 291.A N LEU 287.A O no hydrogen 3.079 N/A LYS 292.A N ALA 289.A O no hydrogen 3.141 N/A LEU 293.A N ALA 289.A O no hydrogen 2.822 N/A LYS 294.A N ALA 290.A O no hydrogen 2.823 N/A LYS 294.A NZ GLU 265.A OE2 no hydrogen 2.958 N/A ASN 295.A N LYS 292.A O no hydrogen 2.971 N/A GLN 296.A N LEU 293.A O no hydrogen 2.844 N/A SER 298.A N ILE 235.A O no hydrogen 2.997 N/A ILE 300.A N GLN 233.A O no hydrogen 3.077 N/A LEU 302.A N LEU 231.A O no hydrogen 2.773 N/A