Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i1u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N THR 4.A OG1 no hydrogen 3.020 N/A THR 2.A N GLU 26.A OE2.A no hydrogen 2.917 N/A THR 2.A OG1 GLU 26.A OE1.A no hydrogen 2.474 N/A THR 2.A OG1 GLU 26.A OE1.B no hydrogen 2.609 N/A THR 2.A OG1 GLU 26.A OE2.A no hydrogen 3.563 N/A ASN 3.A N SER 1.A OG no hydrogen 3.017 N/A THR 4.A N SER 1.A O no hydrogen 3.232 N/A THR 4.A OG1 SER 1.A O no hydrogen 3.197 N/A TYR 7.A OH THR 2.A O no hydrogen 2.709 N/A ALA 8.A N ASN 6.A OD1 no hydrogen 2.919 N/A TYR 10.A OH LEU 279.A O no hydrogen 2.779 N/A HIS 11.A ND1 GLU 15.A OE1 no hydrogen 2.830 N/A HIS 11.A NE2 ASN 6.A O no hydrogen 2.735 N/A THR 12.A N GLU 15.A OE1 no hydrogen 3.080 N/A GLU 15.A N THR 12.A OG1 no hydrogen 3.212 N/A ILE 16.A N THR 12.A O no hydrogen 3.107 N/A TYR 17.A N LEU 13.A O no hydrogen 2.932 N/A TYR 17.A OH PRO 44.A O no hydrogen 2.706 N/A ASP 18.A N ASP 14.A O no hydrogen 2.867 N/A PHE 19.A N GLU 15.A O no hydrogen 2.999 N/A MET 20.A N ILE 16.A O no hydrogen 3.078 N/A ASP 21.A N TYR 17.A O no hydrogen 3.233 N/A LEU 22.A N ASP 18.A O no hydrogen 2.955 N/A LEU 23.A N PHE 19.A O no hydrogen 2.947 N/A VAL 24.A N MET 20.A O no hydrogen 3.028 N/A ALA 25.A N ASP 21.A O no hydrogen 2.954 N/A GLU 26.A N LEU 22.A O no hydrogen 3.012 N/A HIS 27.A N LEU 23.A O no hydrogen 2.928 N/A LEU 30.A N HIS 27.A O no hydrogen 3.053 N/A VAL 31.A N HIS 27.A O no hydrogen 3.010 N/A SER 32.A N LYS 49.A O no hydrogen 2.977 N/A LYS 33.A NZ ASP 21.A OD1 no hydrogen 2.679 N/A LEU 34.A N VAL 47.A O no hydrogen 2.820 N/A ILE 36.A N ILE 45.A O no hydrogen 2.948 N/A ARG 38.A NH1 GLN 35.A OE1 no hydrogen 2.837 N/A ARG 38.A NH2 GLY 42.A O no hydrogen 2.740 N/A SER 39.A N ARG 43.A O no hydrogen 2.762 N/A SER 39.A OG ARG 43.A O no hydrogen 3.470 N/A SER 39.A OG ASP 112.A OD1 no hydrogen 2.645 N/A SER 39.A OG ASP 112.A OD2 no hydrogen 3.270 N/A TYR 40.A N GLU 173.A OE2 no hydrogen 3.131 N/A GLU 41.A N ASP 112.A OD2 no hydrogen 2.869 N/A GLY 42.A N SER 39.A O no hydrogen 2.923 N/A ARG 43.A N SER 39.A OG no hydrogen 2.869 N/A ARG 43.A NH1 GLU 41.A OE1 no hydrogen 2.812 N/A ARG 43.A NH1 ASP 112.A OD1 no hydrogen 2.864 N/A ILE 45.A N GLY 37.A O no hydrogen 2.946 N/A VAL 47.A N LEU 34.A O no hydrogen 2.854 N/A LEU 48.A N LEU 105.A O no hydrogen 2.859 N/A LYS 49.A N SER 32.A O no hydrogen 2.880 N/A PHE 50.A N ILE 103.A O no hydrogen 2.816 N/A SER 51.A N LEU 30.A O no hydrogen 2.963 N/A SER 51.A OG ASP 102.A OD1 no hydrogen 2.694 N/A THR 52.A OG1 LEU 98.A O no hydrogen 2.824 N/A GLY 53.A N SER 51.A OG no hydrogen 3.167 N/A ARG 57.A NH1 THR 52.A OG1 no hydrogen 2.859 N/A ALA 59.A N ASN 186.A O no hydrogen 2.991 N/A ILE 60.A N ASP 102.A O no hydrogen 2.908 N/A TRP 61.A N ALA 189.A O no hydrogen 2.958 N/A TRP 61.A NE1 ASP 63.A OD2 no hydrogen 2.829 N/A ILE 62.A N PHE 104.A O no hydrogen 2.866 N/A ASP 63.A N LEU 191.A O no hydrogen 2.902 N/A LEU 64.A N GLU 106.A O no hydrogen 2.863 N/A HIS 67.A ND1 GLU 70.A OE2 no hydrogen 3.173 N/A HIS 67.A NE2 ASP 140.A OD1 no hydrogen 2.684 N/A SER 68.A OG TRP 124.A O no hydrogen 2.750 N/A ARG 69.A NH1 LEU 123.A O no hydrogen 2.885 N/A ARG 69.A NH1 GLU 161.A OE2.A no hydrogen 2.894 N/A ARG 69.A NH2 GLU 161.A OE1.A no hydrogen 3.101 N/A GLU 70.A N HIS 67.A O no hydrogen 3.162 N/A TRP 71.A NE1 THR 117.A OG1 no hydrogen 2.902 N/A THR 73.A N GLU 70.A O no hydrogen 2.845 N/A THR 73.A OG1 GLU 70.A O no hydrogen 2.794 N/A THR 73.A OG1 GLN 74.A OE1 no hydrogen 3.396 N/A GLN 74.A N GLN 74.A OE1 no hydrogen 2.796 N/A GLN 74.A NE2 SER 68.A O no hydrogen 3.300 N/A ALA 75.A N TRP 71.A O no hydrogen 3.239 N/A THR 76.A N ILE 72.A O no hydrogen 2.934 N/A THR 76.A OG1 ILE 72.A O no hydrogen 2.859 N/A GLY 77.A N THR 73.A O no hydrogen 2.887 N/A VAL 78.A N GLN 74.A O no hydrogen 3.074 N/A TRP 79.A N ALA 75.A O no hydrogen 3.225 N/A PHE 80.A N THR 76.A O no hydrogen 2.843 N/A ALA 81.A N GLY 77.A O no hydrogen 3.021 N/A LYS 82.A N VAL 78.A O no hydrogen 3.225 N/A LYS 82.A NZ THR 2.A OG1 no hydrogen 2.776 N/A LYS 83.A N TRP 79.A O no hydrogen 2.903 N/A LYS 83.A NZ ASP 87.A OD1 no hydrogen 3.302 N/A LYS 83.A NZ ASP 87.A OD2 no hydrogen 3.327 N/A PHE 84.A N PHE 80.A O no hydrogen 2.878 N/A THR 85.A OG1 LYS 82.A O no hydrogen 2.710 N/A GLU 86.A N LYS 82.A O no hydrogen 3.092 N/A ASP 87.A N LYS 83.A O no hydrogen 2.901 N/A TYR 88.A N PHE 84.A O no hydrogen 3.135 N/A TYR 88.A OH ASP 99.A OD1 no hydrogen 2.638 N/A GLY 89.A N THR 95.A OG1 no hydrogen 2.835 N/A GLN 90.A N ASP 87.A O no hydrogen 2.954 N/A ASP 91.A N ASP 87.A O no hydrogen 2.936 N/A SER 93.A OG GLU 300.A OE2 no hydrogen 2.534 N/A PHE 94.A N ASP 91.A OD2 no hydrogen 2.957 N/A THR 95.A N ASP 91.A O no hydrogen 2.955 N/A THR 95.A OG1 ASP 91.A O no hydrogen 2.678 N/A ALA 96.A N PRO 92.A O no hydrogen 3.055 N/A ILE 97.A N SER 93.A O no hydrogen 3.063 N/A LEU 98.A N PHE 94.A O no hydrogen 3.019 N/A ASP 99.A N THR 95.A O no hydrogen 2.921 N/A SER 100.A N ILE 97.A O no hydrogen 3.102 N/A MET 101.A N ILE 97.A O no hydrogen 2.777 N/A ASP 102.A N PRO 58.A O no hydrogen 3.053 N/A ILE 103.A N PHE 50.A O no hydrogen 2.989 N/A PHE 104.A N ILE 60.A O no hydrogen 2.841 N/A LEU 105.A N LEU 48.A O no hydrogen 2.869 N/A GLU 106.A N ILE 62.A O no hydrogen 2.825 N/A THR 109.A N LEU 64.A O no hydrogen 2.986 N/A THR 109.A OG1 LEU 64.A O no hydrogen 2.796 N/A THR 109.A OG1 GLU 106.A O no hydrogen 3.543 N/A ASN 110.A ND2 ILE 66.A O no hydrogen 3.244 N/A ASN 110.A ND2 LYS 126.A O no hydrogen 2.904 N/A GLY 113.A N ASN 110.A OD1 no hydrogen 3.030 N/A PHE 114.A N ASN 110.A O no hydrogen 3.009 N/A ALA 115.A N PRO 111.A O no hydrogen 2.933 N/A PHE 116.A N ASP 112.A O no hydrogen 3.036 N/A THR 117.A N GLY 113.A O no hydrogen 2.901 N/A THR 117.A OG1 PHE 114.A O no hydrogen 2.701 N/A HIS 118.A N PHE 114.A O no hydrogen 3.383 N/A HIS 118.A N ALA 115.A O no hydrogen 3.063 N/A SER 119.A N ALA 115.A O no hydrogen 2.962 N/A SER 119.A OG ALA 115.A O no hydrogen 3.272 N/A GLN 120.A N PHE 116.A O no hydrogen 2.885 N/A ASN 121.A N PHE 116.A O no hydrogen 2.924 N/A ARG 122.A NH1 ARG 69.A O no hydrogen 2.948 N/A ARG 122.A NH1 ARG 122.A O no hydrogen 2.916 N/A ARG 122.A NH2 PHE 277.A O no hydrogen 2.922 N/A LEU 123.A N ASN 121.A OD1 no hydrogen 3.029 N/A TRP 124.A N ASN 121.A O no hydrogen 3.105 N/A TRP 124.A NE1 THR 127.A O no hydrogen 3.030 N/A ARG 125.A NE ASP 140.A OD2 no hydrogen 2.970 N/A ARG 125.A NE GLU 161.A O no hydrogen 3.145 N/A ARG 125.A NH2 ASP 140.A OD2 no hydrogen 2.800 N/A LYS 126.A NZ VAL 137.A O no hydrogen 3.391 N/A LYS 126.A NZ GLY 138.A O no hydrogen 3.049 N/A LYS 126.A NZ SER 160.A O no hydrogen 2.834 N/A THR 127.A N VAL 139.A O no hydrogen 2.849 N/A THR 127.A OG1 SER 129.A OG no hydrogen 3.418 N/A THR 127.A OG1 VAL 139.A O no hydrogen 3.407 N/A THR 127.A OG1 GLU 171.A OE1 no hydrogen 2.822 N/A SER 129.A OG THR 127.A OG1 no hydrogen 3.418 N/A SER 129.A OG GLU 171.A OE1 no hydrogen 2.717 N/A CYS 136.A N SER 134.A OG no hydrogen 3.012 N/A GLY 138.A N SER 129.A O no hydrogen 2.839 N/A VAL 139.A N THR 127.A OG1 no hydrogen 2.933 N/A ASP 140.A N TYR 163.A O no hydrogen 2.833 N/A ASN 142.A N ASP 140.A OD1 no hydrogen 2.889 N/A ARG 143.A N ASP 140.A O no hydrogen 2.889 N/A ARG 143.A NE GLY 153.A O no hydrogen 2.882 N/A ARG 143.A NH1 ASN 142.A O no hydrogen 3.008 N/A ASN 144.A ND2 HIS 164.A O no hydrogen 2.942 N/A ASN 144.A ND2 TYR 167.A O no hydrogen 3.327 N/A ASN 144.A ND2 SER 170.A OG no hydrogen 2.976 N/A TRP 145.A N GLY 250.A O no hydrogen 2.922 N/A ALA 147.A N TRP 145.A O no hydrogen 2.892 N/A LYS 151.A N GLY 148.A O no hydrogen 3.116 N/A SER 155.A N THR 162.A O no hydrogen 2.994 N/A SER 157.A N SER 155.A OG no hydrogen 2.975 N/A SER 160.A N SER 157.A O no hydrogen 2.974 N/A SER 160.A OG THR 162.A OG1 no hydrogen 3.308 N/A THR 162.A N SER 160.A OG no hydrogen 3.081 N/A THR 162.A OG1 SER 160.A OG no hydrogen 3.308 N/A TYR 163.A N SER 160.A O no hydrogen 3.234 N/A HIS 164.A N SER 155.A O no hydrogen 2.912 N/A HIS 164.A ND1 GLY 165.A O no hydrogen 2.720 N/A ASN 169.A N ASN 144.A O no hydrogen 2.765 N/A SER 170.A N TYR 167.A O no hydrogen 3.098 N/A SER 170.A OG TYR 167.A O no hydrogen 3.309 N/A SER 170.A OG GLU 171.A OE2 no hydrogen 2.825 N/A GLU 171.A N ASN 144.A OD1 no hydrogen 3.022 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.778 N/A VAL 174.A N GLU 171.A O no hydrogen 2.902 N/A LYS 175.A N GLU 171.A O no hydrogen 2.920 N/A LYS 175.A NZ ASP 179.A OD1 no hydrogen 2.879 N/A LYS 175.A NZ ASP 179.A OD2 no hydrogen 3.187 N/A SER 176.A N VAL 172.A O no hydrogen 2.886 N/A SER 176.A OG ILE 36.A O no hydrogen 3.558 N/A SER 176.A OG VAL 172.A O no hydrogen 2.700 N/A VAL 178.A N VAL 174.A O no hydrogen 3.001 N/A ASP 179.A N LYS 175.A O no hydrogen 2.909 N/A PHE 180.A N SER 176.A O no hydrogen 3.140 N/A VAL 181.A N ILE 177.A O no hydrogen 2.920 N/A LYS 182.A N VAL 178.A O no hydrogen 2.943 N/A LYS 182.A NZ GLN 259.A OE1 no hydrogen 2.716 N/A ASP 183.A N ASP 179.A O no hydrogen 2.905 N/A HIS 184.A N PHE 180.A O no hydrogen 2.979 N/A GLY 185.A N VAL 181.A O no hydrogen 3.023 N/A ASN 186.A N HIS 184.A ND1 no hydrogen 3.034 N/A ASN 186.A ND2 ASN 56.A O no hydrogen 2.880 N/A LYS 188.A N ALA 59.A O no hydrogen 2.790 N/A ALA 189.A N ALA 59.A O no hydrogen 3.467 N/A PHE 190.A N TYR 263.A O no hydrogen 2.915 N/A LEU 191.A N TRP 61.A O no hydrogen 2.793 N/A SER 192.A N PHE 265.A O no hydrogen 3.001 N/A SER 192.A OG ASP 63.A OD1 no hydrogen 2.697 N/A ILE 193.A N ASP 63.A O no hydrogen 2.796 N/A HIS 194.A N PHE 267.A O no hydrogen 2.848 N/A SER 195.A N GLU 70.A OE1 no hydrogen 2.985 N/A SER 197.A N LEU 269.A O no hydrogen 3.068 N/A SER 197.A OG TYR 196.A O no hydrogen 2.623 N/A GLN 198.A N LEU 269.A O no hydrogen 3.264 N/A GLN 198.A NE2 SER 235.A O no hydrogen 2.932 N/A LEU 199.A N GLU 268.A O no hydrogen 3.022 N/A LEU 200.A N LYS 237.A O no hydrogen 2.883 N/A LEU 201.A N THR 266.A O no hydrogen 2.840 N/A TYR 202.A N GLY 239.A O no hydrogen 3.115 N/A TYR 204.A OH ASN 258.A OD1 no hydrogen 2.709 N/A GLY 205.A N ASP 254.A OD1 no hydrogen 3.341 N/A GLY 205.A N ASP 254.A OD2 no hydrogen 2.788 N/A TYR 206.A N ASP 254.A OD2 no hydrogen 3.343 N/A GLN 209.A N THR 207.A OG1 no hydrogen 3.093 N/A ASP 213.A N TYR 257.A OH no hydrogen 3.249 N/A LYS 214.A N ILE 211.A O no hydrogen 3.170 N/A LEU 217.A N ASP 213.A O no hydrogen 2.960 N/A ASN 218.A N LYS 214.A O no hydrogen 2.829 N/A ASN 218.A ND2 TYR 202.A OH no hydrogen 2.687 N/A GLN 219.A N THR 215.A O no hydrogen 3.060 N/A VAL 220.A N GLU 216.A O no hydrogen 2.842 N/A ALA 221.A N LEU 217.A O no hydrogen 2.865 N/A LYS 222.A N ASN 218.A O no hydrogen 2.886 N/A SER 223.A N GLN 219.A O no hydrogen 2.918 N/A SER 223.A OG.A GLN 219.A O no hydrogen 3.101 N/A SER 223.A OG.B GLN 219.A O no hydrogen 3.403 N/A SER 223.A OG.B VAL 220.A O no hydrogen 2.723 N/A ALA 224.A N VAL 220.A O no hydrogen 2.913 N/A VAL 225.A N ALA 221.A O no hydrogen 2.911 N/A ALA 226.A N LYS 222.A O no hydrogen 3.027 N/A ALA 227.A N SER 223.A O no hydrogen 2.995 N/A LEU 228.A N ALA 224.A O no hydrogen 2.965 N/A LYS 229.A N VAL 225.A O no hydrogen 2.867 N/A LYS 229.A NZ SER 235.A OG.A no hydrogen 3.228 N/A SER 230.A N ALA 226.A O no hydrogen 2.961 N/A SER 230.A N ALA 227.A O no hydrogen 3.228 N/A SER 230.A OG ALA 227.A O no hydrogen 2.642 N/A LEU 231.A N LEU 228.A O no hydrogen 3.374 N/A TYR 232.A OH GLN 289.A OE1 no hydrogen 2.687 N/A GLY 233.A N LYS 229.A O no hydrogen 2.814 N/A THR 234.A OG1 GLU 290.A OE1 no hydrogen 2.679 N/A THR 234.A OG1 GLU 290.A OE2 no hydrogen 3.455 N/A LYS 237.A N GLN 198.A O no hydrogen 3.061 N/A GLY 239.A N LEU 200.A O no hydrogen 3.224 N/A SER 240.A OG THR 243.A OG1 no hydrogen 2.735 N/A ILE 241.A N TYR 202.A O no hydrogen 2.911 N/A ILE 242.A N TYR 204.A O no hydrogen 3.042 N/A THR 243.A N SER 240.A OG no hydrogen 3.328 N/A THR 243.A OG1 SER 240.A O no hydrogen 3.262 N/A THR 243.A OG1 SER 240.A OG no hydrogen 2.735 N/A THR 243.A OG1 THR 244.A OG1 no hydrogen 3.268 N/A THR 244.A N ILE 241.A O no hydrogen 3.263 N/A THR 244.A OG1 SER 240.A O no hydrogen 2.866 N/A THR 244.A OG1 THR 243.A OG1 no hydrogen 3.268 N/A ILE 245.A N ILE 241.A O no hydrogen 2.939 N/A TYR 246.A N ILE 241.A O no hydrogen 3.243 N/A ALA 248.A N GLY 205.A O no hydrogen 2.987 N/A SER 249.A N GLY 153.A O no hydrogen 3.136 N/A SER 249.A OG LYS 151.A O no hydrogen 2.751 N/A GLY 250.A N ALA 147.A O no hydrogen 2.885 N/A SER 252.A N ASN 142.A OD1 no hydrogen 2.948 N/A SER 252.A OG ASN 142.A OD1 no hydrogen 3.497 N/A TRP 255.A N GLY 251.A O no hydrogen 3.334 N/A SER 256.A N SER 252.A O no hydrogen 2.904 N/A SER 256.A OG SER 252.A O no hydrogen 3.493 N/A SER 256.A OG ILE 253.A O no hydrogen 3.198 N/A SER 256.A OG SER 264.A OG no hydrogen 2.735 N/A TYR 257.A N ILE 253.A O no hydrogen 2.983 N/A TYR 257.A OH ASP 213.A OD2 no hydrogen 2.618 N/A ASN 258.A N ASP 254.A O no hydrogen 3.106 N/A ASN 258.A ND2 TYR 206.A OH no hydrogen 3.129 N/A GLN 259.A N TRP 255.A O no hydrogen 2.968 N/A GLN 259.A N SER 256.A O no hydrogen 3.221 N/A GLY 260.A N TYR 257.A O no hydrogen 2.934 N/A ILE 261.A N SER 256.A O no hydrogen 2.990 N/A LYS 262.A NZ GLU 216.A OE1 no hydrogen 2.817 N/A LYS 262.A NZ GLU 216.A OE2 no hydrogen 3.419 N/A LYS 262.A NZ TYR 263.A OH no hydrogen 3.212 N/A TYR 263.A OH GLU 216.A OE2 no hydrogen 2.689 N/A SER 264.A N LYS 262.A O no hydrogen 2.974 N/A SER 264.A OG SER 256.A OG no hydrogen 2.735 N/A SER 264.A OG ILE 261.A O no hydrogen 2.725 N/A PHE 265.A N PHE 190.A O no hydrogen 3.050 N/A THR 266.A N LEU 201.A O no hydrogen 2.855 N/A PHE 267.A N SER 192.A O no hydrogen 2.988 N/A GLU 268.A N LEU 199.A O no hydrogen 2.810 N/A LEU 269.A N HIS 194.A O no hydrogen 2.851 N/A ARG 270.A NE GLU 290.A OE2 no hydrogen 2.825 N/A ARG 270.A NH1 GLN 283.A OE1 no hydrogen 2.976 N/A ARG 270.A NH2 GLU 290.A OE1 no hydrogen 2.999 N/A GLY 273.A N ASP 271.A OD1 no hydrogen 2.922 N/A TYR 275.A N ASP 271.A OD2 no hydrogen 2.836 N/A GLY 276.A N ASP 271.A OD1 no hydrogen 2.932 N/A LEU 278.A N TYR 275.A O no hydrogen 3.042 N/A GLN 283.A N PRO 280.A O no hydrogen 2.961 N/A ILE 284.A N ALA 281.A O no hydrogen 2.991 N/A THR 287.A N GLN 283.A O no hydrogen 3.043 N/A THR 287.A OG1 GLN 283.A O no hydrogen 2.752 N/A ALA 288.A N ILE 284.A O no hydrogen 2.865 N/A GLN 289.A N ILE 285.A O no hydrogen 2.848 N/A GLU 290.A N PRO 286.A O no hydrogen 3.099 N/A THR 291.A N THR 287.A O no hydrogen 2.966 N/A THR 291.A OG1 THR 287.A O no hydrogen 2.668 N/A TRP 292.A N ALA 288.A O no hydrogen 2.878 N/A LEU 293.A N GLN 289.A O no hydrogen 3.458 N/A GLY 294.A N GLU 290.A O no hydrogen 3.361 N/A VAL 295.A N THR 291.A O no hydrogen 2.901 N/A LEU 296.A N TRP 292.A O no hydrogen 2.789 N/A THR 297.A N LEU 293.A O no hydrogen 3.092 N/A THR 297.A OG1 LEU 293.A O no hydrogen 2.789 N/A ILE 298.A N GLY 294.A O no hydrogen 3.177 N/A MET 299.A N VAL 295.A O no hydrogen 2.959 N/A GLU 300.A N LEU 296.A O no hydrogen 2.881 N/A HIS 301.A N THR 297.A O no hydrogen 3.186 N/A HIS 301.A ND1 THR 297.A O no hydrogen 2.814 N/A THR 302.A N ILE 298.A O no hydrogen 3.110 N/A THR 302.A N MET 299.A O no hydrogen 3.031 N/A THR 302.A OG1 ILE 298.A O no hydrogen 2.988 N/A VAL 303.A N MET 299.A O no hydrogen 2.995 N/A