Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pdu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ASP 59.A OD2 no hydrogen 2.840 N/A THR 3.A OG1 ASP 59.A OD2 no hydrogen 3.375 N/A TYR 4.A N ASP 26.A O no hydrogen 2.920 N/A GLY 5.A N ILE 60.A O no hydrogen 2.755 N/A PHE 6.A N THR 28.A O no hydrogen 2.832 N/A LEU 7.A N ILE 62.A O no hydrogen 2.802 N/A GLY 8.A N TRP 30.A O no hydrogen 3.013 N/A LEU 9.A N ASN 31.A OD1 no hydrogen 2.832 N/A GLY 14.A N GLY 10.A O no hydrogen 2.908 N/A MET 16.A N MET 12.A O no hydrogen 3.092 N/A ALA 17.A N GLY 13.A O no hydrogen 2.820 N/A ALA 18.A N GLY 14.A O no hydrogen 2.941 N/A ASN 19.A N PRO 15.A O no hydrogen 2.937 N/A ASN 19.A ND2 GLU 129.A O no hydrogen 3.371 N/A LEU 20.A N MET 16.A O no hydrogen 3.267 N/A VAL 21.A N ALA 17.A O no hydrogen 3.130 N/A ARG 22.A N ALA 18.A O no hydrogen 2.877 N/A ALA 23.A N ASN 19.A O no hydrogen 2.937 N/A GLY 24.A N VAL 21.A O no hydrogen 2.945 N/A PHE 25.A N LEU 20.A O no hydrogen 3.147 N/A THR 28.A N TYR 4.A O no hydrogen 2.837 N/A VAL 29.A N ARG 46.A O no hydrogen 2.775 N/A TRP 30.A N PHE 6.A O no hydrogen 2.974 N/A ASN 31.A ND2 ASN 33.A O no hydrogen 2.897 N/A ALA 35.A N ASN 33.A OD1 no hydrogen 3.198 N/A LYS 36.A N ASN 33.A O no hydrogen 3.188 N/A CYS 37.A N PRO 34.A O no hydrogen 2.978 N/A ALA 38.A N ALA 35.A O no hydrogen 3.191 N/A VAL 41.A N CYS 37.A O no hydrogen 2.895 N/A ALA 42.A N ALA 38.A O no hydrogen 2.931 N/A LEU 43.A N PRO 39.A O no hydrogen 3.153 N/A LEU 43.A N LEU 40.A O no hydrogen 3.185 N/A GLY 44.A N LEU 40.A O no hydrogen 3.133 N/A GLY 44.A N VAL 41.A O no hydrogen 2.949 N/A ALA 45.A N LEU 40.A O no hydrogen 2.878 N/A ARG 46.A N VAL 27.A O no hydrogen 2.889 N/A ALA 48.A N VAL 29.A O no hydrogen 2.909 N/A SER 49.A N GLU 53.A OE1 no hydrogen 2.805 N/A ALA 52.A N ASN 79.A O no hydrogen 2.898 N/A GLU 53.A N SER 50.A OG no hydrogen 3.114 N/A VAL 54.A N SER 50.A O no hydrogen 3.147 N/A CYS 55.A N PRO 51.A O no hydrogen 2.934 N/A CYS 55.A SG PRO 51.A O no hydrogen 3.561 N/A ALA 56.A N ALA 52.A O no hydrogen 3.023 N/A ALA 57.A N VAL 54.A O no hydrogen 3.117 N/A CYS 58.A N VAL 54.A O no hydrogen 2.916 N/A CYS 58.A SG VAL 54.A O no hydrogen 3.450 N/A ASP 59.A N THR 3.A OG1 no hydrogen 3.248 N/A ILE 60.A N THR 3.A O no hydrogen 3.119 N/A THR 61.A N GLY 90.A O no hydrogen 2.905 N/A ILE 62.A N GLY 5.A O no hydrogen 2.857 N/A ALA 63.A N ILE 92.A O no hydrogen 2.937 N/A MET 64.A N LEU 7.A O no hydrogen 2.865 N/A LEU 65.A N SER 95.A OG no hydrogen 2.728 N/A ALA 70.A N ASP 67.A OD1 no hydrogen 2.890 N/A ALA 71.A N ASP 67.A O no hydrogen 2.882 N/A ARG 72.A N PRO 68.A O no hydrogen 2.898 N/A ARG 72.A NE THR 101.A OG1 no hydrogen 3.105 N/A GLU 73.A N ALA 69.A O no hydrogen 2.943 N/A VAL 74.A N ALA 70.A O no hydrogen 2.938 N/A CYS 75.A N ALA 71.A O no hydrogen 3.116 N/A PHE 76.A N ARG 72.A O no hydrogen 2.770 N/A GLY 77.A N GLU 73.A O no hydrogen 2.822 N/A ASN 79.A N GLU 83.A OE1 no hydrogen 3.061 N/A GLY 80.A N GLY 77.A O no hydrogen 3.015 N/A VAL 81.A N VAL 74.A O no hydrogen 2.835 N/A LEU 82.A N CYS 75.A O no hydrogen 3.281 N/A GLU 83.A N GLY 80.A O no hydrogen 3.082 N/A GLY 84.A N VAL 81.A O no hydrogen 3.017 N/A ILE 85.A N VAL 81.A O no hydrogen 2.879 N/A GLY 88.A N GLY 113.A O no hydrogen 2.850 N/A ARG 89.A N GLY 86.A O no hydrogen 2.831 N/A ARG 89.A NE CYS 55.A O no hydrogen 2.810 N/A ARG 89.A NH2 GLY 84.A O no hydrogen 2.908 N/A GLY 90.A N ASP 59.A O no hydrogen 2.863 N/A TYR 91.A N ARG 115.A O no hydrogen 2.787 N/A ILE 92.A N THR 61.A O no hydrogen 2.755 N/A ASP 93.A N LEU 117.A O no hydrogen 3.038 N/A MET 94.A N ALA 63.A O no hydrogen 2.825 N/A SER 95.A N ASP 93.A OD1 no hydrogen 3.116 N/A SER 95.A OG LEU 65.A O no hydrogen 3.490 N/A SER 95.A OG ASP 93.A OD1 no hydrogen 2.622 N/A THR 101.A N ASP 98.A OD2 no hydrogen 2.888 N/A THR 101.A OG1 ASP 98.A OD1 no hydrogen 2.698 N/A THR 101.A OG1 ASP 98.A OD2 no hydrogen 3.360 N/A SER 102.A N ASP 98.A O no hydrogen 3.177 N/A SER 102.A OG ASP 99.A O no hydrogen 3.349 N/A SER 102.A OG GLU 118.A OE1 no hydrogen 2.709 N/A THR 103.A N.A ASP 99.A O no hydrogen 3.034 N/A THR 103.A N.B ASP 99.A O no hydrogen 3.044 N/A THR 103.A OG1.A ASP 99.A O no hydrogen 2.911 N/A THR 103.A OG1.B ASP 99.A O no hydrogen 2.794 N/A THR 103.A OG1.B GLU 100.A O no hydrogen 3.075 N/A ALA 104.A N GLU 100.A O no hydrogen 3.044 N/A ILE 105.A N THR 101.A O no hydrogen 2.914 N/A GLY 106.A N SER 102.A O no hydrogen 2.903 N/A ALA 107.A N THR 103.A O.A no hydrogen 2.876 N/A ALA 107.A N THR 103.A O.B no hydrogen 3.070 N/A ALA 108.A N ALA 104.A O no hydrogen 3.072 N/A VAL 109.A N ILE 105.A O no hydrogen 2.912 N/A THR 110.A N GLY 106.A O no hydrogen 2.899 N/A THR 110.A OG1 GLY 106.A O no hydrogen 2.818 N/A ALA 111.A N ALA 107.A O no hydrogen 3.027 N/A ARG 112.A N ALA 108.A O no hydrogen 3.192 N/A ARG 112.A N VAL 109.A O no hydrogen 3.054 N/A GLY 113.A N THR 110.A O no hydrogen 2.955 N/A GLY 114.A N VAL 109.A O no hydrogen 2.949 N/A ARG 115.A N ARG 89.A O no hydrogen 2.888 N/A ARG 115.A NE GLY 88.A O no hydrogen 2.926 N/A ARG 115.A NH1 SER 142.A OG no hydrogen 2.756 N/A ARG 115.A NH1 ASP 146.A OD2 no hydrogen 2.972 N/A ARG 115.A NH2 GLY 88.A O no hydrogen 3.524 N/A ARG 115.A NH2 ASP 146.A OD2 no hydrogen 3.010 N/A LEU 117.A N TYR 91.A O no hydrogen 3.074 N/A GLU 118.A N ALA 138.A O no hydrogen 2.867 N/A ALA 119.A N ASP 93.A O no hydrogen 2.899 N/A SER 122.A N ILE 134.A O no hydrogen 2.872 N/A LYS 125.A N THR 124.A OG1 no hydrogen 2.682 N/A LYS 125.A NZ GLU 129.A OE2 no hydrogen 2.887 N/A LYS 126.A NZ ASP 130.A OD2 no hydrogen 2.748 N/A ALA 128.A N THR 124.A O no hydrogen 3.006 N/A GLU 129.A N LYS 125.A O no hydrogen 2.964 N/A ASP 130.A N LYS 126.A O no hydrogen 2.812 N/A GLY 131.A N ALA 128.A O no hydrogen 3.403 N/A THR 132.A N PRO 127.A O no hydrogen 2.869 N/A LEU 133.A N LEU 154.A O no hydrogen 3.467 N/A ILE 134.A N SER 122.A O no hydrogen 2.944 N/A ILE 135.A N LYS 157.A O no hydrogen 2.733 N/A LEU 136.A N PRO 120.A O no hydrogen 2.920 N/A ALA 137.A N LEU 159.A O no hydrogen 2.847 N/A ALA 138.A N GLU 118.A O no hydrogen 2.930 N/A GLY 139.A N GLY 162.A O no hydrogen 2.938 N/A ASP 140.A N PHE 116.A O no hydrogen 3.015 N/A SER 142.A OG ASP 140.A OD1 no hydrogen 2.571 N/A LEU 143.A N ASP 140.A OD1 no hydrogen 2.784 N/A PHE 144.A N ASP 140.A O no hydrogen 3.014 N/A THR 145.A N GLN 141.A O no hydrogen 2.989 N/A THR 145.A OG1 GLN 141.A O no hydrogen 3.213 N/A ASP 146.A N SER 142.A O no hydrogen 2.926 N/A ALA 147.A N LEU 143.A O no hydrogen 2.970 N/A GLY 148.A N THR 145.A O no hydrogen 3.048 N/A PHE 151.A N ALA 147.A O no hydrogen 2.824 N/A ALA 152.A N GLY 148.A O no hydrogen 2.959 N/A ALA 153.A N PRO 149.A O no hydrogen 3.373 N/A ALA 153.A N ALA 150.A O no hydrogen 3.016 N/A LEU 154.A N ALA 150.A O no hydrogen 3.147 N/A LEU 154.A N PHE 151.A O no hydrogen 3.108 N/A GLY 155.A N PHE 151.A O no hydrogen 2.829 N/A LYS 156.A N LEU 133.A O no hydrogen 2.840 N/A LEU 159.A N ILE 135.A O no hydrogen 2.878 N/A HIS 160.A NE2 GLY 139.A O no hydrogen 2.883 N/A LEU 161.A N ALA 137.A O no hydrogen 2.696 N/A GLY 162.A N HIS 160.A ND1 no hydrogen 3.366 N/A GLY 165.A N GLU 118.A OE2 no hydrogen 2.704 N/A GLN 166.A N GLU 163.A O no hydrogen 3.144 N/A ALA 168.A N GLU 118.A OE2 no hydrogen 3.036 N/A ARG 169.A N GLY 165.A O no hydrogen 2.958 N/A ARG 169.A NE ASP 99.A OD2 no hydrogen 2.780 N/A ARG 169.A NH2 ASP 99.A OD2 no hydrogen 3.157 N/A MET 170.A N GLN 166.A O no hydrogen 2.919 N/A LYS 171.A N GLY 167.A O no hydrogen 2.967 N/A LYS 171.A NZ.A THR 96.A OG1 no hydrogen 2.708 N/A LYS 171.A NZ.A VAL 121.A O no hydrogen 2.920 N/A LYS 171.A NZ.B VAL 121.A O no hydrogen 2.762 N/A LYS 171.A NZ.B ASN 175.A OD1 no hydrogen 3.055 N/A LEU 172.A N ALA 168.A O no hydrogen 2.886 N/A VAL 173.A N ARG 169.A O no hydrogen 2.976 N/A VAL 174.A N MET 170.A O no hydrogen 2.927 N/A ASN 175.A N LYS 171.A O no hydrogen 2.931 N/A ASN 175.A ND2 ASP 240.A OD2 no hydrogen 2.693 N/A MET 176.A N LEU 172.A O no hydrogen 2.896 N/A ILE 177.A N VAL 173.A O no hydrogen 3.217 N/A MET 178.A N VAL 174.A O no hydrogen 3.080 N/A GLY 179.A N ASN 175.A O no hydrogen 2.862 N/A GLN 180.A N MET 176.A O no hydrogen 3.229 N/A MET 181.A N ILE 177.A O no hydrogen 2.909 N/A MET 182.A N MET 178.A O no hydrogen 3.003 N/A THR 183.A N GLY 179.A O no hydrogen 3.135 N/A THR 183.A OG1 GLY 179.A O no hydrogen 3.563 N/A THR 183.A OG1 GLN 180.A O no hydrogen 3.150 N/A ALA 184.A N GLN 180.A O no hydrogen 2.913 N/A LEU 185.A N MET 181.A O no hydrogen 2.922 N/A GLY 186.A N MET 182.A O no hydrogen 2.842 N/A GLU 187.A N THR 183.A O no hydrogen 2.845 N/A GLY 188.A N ALA 184.A O no hydrogen 2.924 N/A MET 189.A N LEU 185.A O no hydrogen 2.879 N/A ALA 190.A N GLY 186.A O no hydrogen 2.898 N/A LEU 191.A N GLU 187.A O no hydrogen 2.936 N/A GLY 192.A N GLY 188.A O no hydrogen 2.841 N/A ARG 193.A N MET 189.A O no hydrogen 2.932 N/A ARG 193.A NH2 LEU 223.A O no hydrogen 3.012 N/A ASN 194.A N ALA 190.A O no hydrogen 3.158 N/A CYS 195.A N LEU 191.A O no hydrogen 2.894 N/A CYS 195.A SG LEU 191.A O no hydrogen 3.332 N/A GLY 196.A N ARG 193.A O no hydrogen 2.955 N/A LEU 197.A N GLY 192.A O no hydrogen 2.914 N/A GLN 201.A N ASP 198.A OD2 no hydrogen 3.334 N/A LEU 202.A N ASP 198.A O no hydrogen 3.038 N/A LEU 203.A N GLY 199.A O no hydrogen 2.996 N/A GLU 204.A N GLY 200.A O no hydrogen 3.000 N/A VAL 205.A N GLN 201.A O no hydrogen 2.839 N/A LEU 206.A N LEU 202.A O no hydrogen 2.959 N/A ASP 207.A N LEU 203.A O no hydrogen 2.874 N/A ALA 208.A N VAL 205.A O no hydrogen 3.242 N/A GLY 209.A N LEU 206.A O no hydrogen 3.376 N/A ALA 212.A N GLY 209.A O no hydrogen 3.201 N/A ASN 213.A ND2 MET 211.A O no hydrogen 2.790 N/A PHE 216.A N ASN 213.A OD1 no hydrogen 2.823 N/A LYS 217.A N ASN 213.A O no hydrogen 3.246 N/A LYS 217.A NZ ASP 207.A OD2 no hydrogen 3.261 N/A GLY 218.A N PRO 214.A O no hydrogen 2.956 N/A LYS 219.A N MET 215.A O.A no hydrogen 2.786 N/A LYS 219.A N MET 215.A O.B no hydrogen 2.820 N/A LYS 219.A NZ ASP 277.A OD1 no hydrogen 3.226 N/A LYS 219.A NZ ASP 277.A OD2 no hydrogen 2.802 N/A GLY 220.A N PHE 216.A O no hydrogen 2.873 N/A GLN 221.A N GLY 218.A O no hydrogen 3.290 N/A LEU 223.A N LYS 219.A O no hydrogen 3.047 N/A LEU 224.A N GLY 220.A O no hydrogen 3.032 N/A SER 225.A N GLN 221.A O no hydrogen 2.986 N/A SER 225.A OG GLN 221.A O no hydrogen 3.253 N/A SER 225.A OG MET 222.A O no hydrogen 3.234 N/A GLY 226.A N MET 222.A O no hydrogen 2.789 N/A GLU 227.A N SER 225.A OG no hydrogen 3.078 N/A THR 230.A OG1 ASP 275.A O no hydrogen 2.613 N/A SER 231.A N ASP 277.A OD1 no hydrogen 2.817 N/A PHE 232.A N ASP 277.A OD1 no hydrogen 3.003 N/A LEU 234.A N GLU 276.A O no hydrogen 2.884 N/A LYS 235.A N ALA 274.A O no hydrogen 2.933 N/A LYS 235.A NZ ASP 275.A OD1 no hydrogen 2.757 N/A HIS 236.A N PRO 233.A O no hydrogen 2.914 N/A MET 237.A N PRO 233.A O no hydrogen 3.183 N/A GLN 238.A N LEU 234.A O no hydrogen 2.955 N/A GLN 238.A NE2 ASN 262.A OD1 no hydrogen 2.908 N/A LYS 239.A N LYS 235.A O no hydrogen 3.005 N/A LYS 239.A NZ ALA 66.A O no hydrogen 3.370 N/A LYS 239.A NZ THR 96.A O no hydrogen 2.935 N/A LYS 239.A NZ ASP 240.A OD1 no hydrogen 2.724 N/A ASP 240.A N HIS 236.A O no hydrogen 2.919 N/A LEU 241.A N MET 237.A O no hydrogen 3.030 N/A ARG 242.A N GLN 238.A O no hydrogen 2.850 N/A ARG 242.A NH2 GLN 238.A OE1 no hydrogen 3.323 N/A LEU 243.A N LYS 239.A O no hydrogen 2.942 N/A ALA 244.A N ASP 240.A O no hydrogen 2.892 N/A VAL 245.A N LEU 241.A O no hydrogen 2.941 N/A GLU 246.A N ARG 242.A O no hydrogen 2.959 N/A LEU 247.A N LEU 243.A O no hydrogen 2.894 N/A GLY 248.A N ALA 244.A O no hydrogen 2.867 N/A ASP 249.A N VAL 245.A O no hydrogen 2.926 N/A ARG 250.A N GLU 246.A O no hydrogen 3.044 N/A ARG 250.A NH2 ASP 99.A OD1 no hydrogen 2.839 N/A LEU 251.A N LEU 247.A O no hydrogen 2.944 N/A GLY 252.A N ASP 249.A O no hydrogen 3.140 N/A GLN 253.A N GLY 248.A O no hydrogen 2.714 N/A GLN 253.A NE2 PRO 254.A O no hydrogen 3.021 N/A ALA 259.A N LEU 255.A O no hydrogen 2.917 N/A THR 260.A N HIS 256.A O no hydrogen 3.027 N/A THR 260.A OG1 HIS 256.A O no hydrogen 3.177 N/A ALA 261.A N GLY 257.A O no hydrogen 2.990 N/A ASN 262.A N ALA 258.A O no hydrogen 2.801 N/A GLU 263.A N ALA 259.A O no hydrogen 3.140 N/A SER 264.A N THR 260.A O no hydrogen 3.116 N/A SER 264.A OG THR 260.A O no hydrogen 3.545 N/A PHE 265.A N ALA 261.A O no hydrogen 2.998 N/A LYS 266.A N ASN 262.A O no hydrogen 2.972 N/A LYS 266.A NZ GLU 263.A OE2 no hydrogen 2.862 N/A ARG 267.A N GLU 263.A O no hydrogen 2.962 N/A ARG 267.A NH2 SER 264.A OG no hydrogen 2.705 N/A ALA 268.A N SER 264.A O no hydrogen 3.097 N/A ARG 269.A N PHE 265.A O no hydrogen 2.999 N/A ARG 269.A NH1 GLN 238.A OE1 no hydrogen 2.794 N/A ALA 270.A N LYS 266.A O no hydrogen 2.895 N/A ALA 271.A N ARG 267.A O no hydrogen 2.938 N/A GLY 272.A N ARG 269.A O no hydrogen 2.987 N/A HIS 273.A N ALA 268.A O no hydrogen 3.050 N/A HIS 273.A ND1 GLU 276.A OE2 no hydrogen 2.588 N/A GLU 276.A N HIS 273.A O no hydrogen 3.107 N/A ASP 277.A N PHE 228.A O no hydrogen 3.089 N/A PHE 278.A N PHE 232.A O no hydrogen 2.807 N/A ALA 279.A N ASP 277.A OD2 no hydrogen 3.110 N/A ALA 280.A N ASP 277.A O no hydrogen 2.816 N/A VAL 281.A N PHE 278.A O no hydrogen 3.200 N/A PHE 282.A N ALA 279.A O no hydrogen 3.007 N/A ARG 283.A N ALA 280.A O no hydrogen 2.876 N/A ARG 283.A NH1 GLU 276.A OE1 no hydrogen 2.767 N/A VAL 284.A N VAL 281.A O no hydrogen 2.992 N/A LEU 285.A N PHE 282.A O no hydrogen 3.029 N/A GLU 286.A N PHE 282.A O no hydrogen 2.965 N/A