Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ioj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG.B LEU 4.A O no hydrogen 2.755 N/A THR 16.A N LYS 13.A O no hydrogen 2.959 N/A ARG 19.A NE ASP 21.A OD1 no hydrogen 2.846 N/A ARG 19.A NH1 ASP 21.A OD1 no hydrogen 3.366 N/A ARG 19.A NH1 ASP 21.A OD2 no hydrogen 2.871 N/A ARG 19.A NH1 VAL 273.A O no hydrogen 3.081 N/A ARG 19.A NH2 GLU 35.A O no hydrogen 2.996 N/A ASP 21.A N ASP 21.A OD1 no hydrogen 2.646 N/A THR 26.A N ALA 30.A O no hydrogen 2.801 N/A THR 26.A OG1 ALA 30.A O no hydrogen 3.482 N/A TRP 28.A N THR 26.A OG1 no hydrogen 3.229 N/A TRP 28.A NE1 PRO 253.A O no hydrogen 2.726 N/A LEU 29.A N THR 26.A O no hydrogen 2.865 N/A ALA 30.A N THR 26.A OG1 no hydrogen 2.966 N/A ILE 32.A N VAL 24.A O no hydrogen 2.869 N/A VAL 33.A N VAL 256.A O no hydrogen 2.775 N/A TRP 34.A NE1 LEU 23.A O no hydrogen 2.981 N/A GLU 35.A N GLU 260.A OE1 no hydrogen 3.271 N/A GLU 35.A N GLU 260.A OE2 no hydrogen 2.703 N/A THR 37.A N TRP 34.A O no hydrogen 3.030 N/A THR 37.A OG1 TRP 34.A O no hydrogen 2.647 N/A ILE 42.A N ASN 39.A OD1 no hydrogen 3.108 N/A LEU 43.A N ASN 39.A O no hydrogen 3.236 N/A ASN 44.A N ILE 40.A O no hydrogen 2.801 N/A GLU 45.A N ASP 41.A O no hydrogen 3.108 N/A GLN 46.A N ILE 42.A O no hydrogen 3.022 N/A PHE 47.A N LEU 43.A O no hydrogen 3.004 N/A ARG 48.A N ASN 44.A O no hydrogen 2.815 N/A LEU 49.A N GLU 45.A O no hydrogen 2.972 N/A GLN 50.A N PHE 47.A O no hydrogen 3.102 N/A ASN 51.A N ARG 48.A O no hydrogen 2.907 N/A THR 52.A N PHE 47.A O no hydrogen 3.287 N/A THR 52.A OG1 PHE 47.A O no hydrogen 2.855 N/A THR 53.A N ASP 143.A OD1 no hydrogen 2.785 N/A ILE 54.A N ARG 84.A O no hydrogen 2.929 N/A GLY 55.A N TYR 144.A O no hydrogen 2.773 N/A LEU 56.A N HIS 86.A O no hydrogen 2.923 N/A THR 57.A N VAL 146.A O no hydrogen 2.788 N/A VAL 58.A N TYR 88.A O no hydrogen 3.038 N/A ALA 60.A N PHE 90.A O no hydrogen 2.801 N/A LYS 62.A N ASP 92.A OD1 no hydrogen 2.772 N/A LYS 62.A NZ TYR 116.A O no hydrogen 2.831 N/A TYR 64.A N ILE 61.A O no hydrogen 3.225 N/A VAL 65.A N LYS 62.A O no hydrogen 3.346 N/A ALA 66.A N LYS 63.A O no hydrogen 3.213 N/A PHE 67.A N TYR 64.A O no hydrogen 3.132 N/A LEU 68.A N VAL 65.A O no hydrogen 3.010 N/A LYS 69.A NZ GLU 73.A OE2 no hydrogen 2.536 N/A PHE 71.A N PHE 67.A O no hydrogen 3.160 N/A LEU 72.A N LEU 68.A O no hydrogen 2.807 N/A GLU 73.A N LYS 69.A O no hydrogen 2.920 N/A THR 74.A N LEU 70.A O no hydrogen 3.037 N/A THR 74.A OG1 LEU 70.A O no hydrogen 2.810 N/A THR 74.A OG1 PHE 71.A O no hydrogen 3.215 N/A ALA 75.A N PHE 71.A O no hydrogen 2.916 N/A GLU 76.A N LEU 72.A O no hydrogen 3.017 N/A LYS 77.A N THR 74.A O no hydrogen 3.010 N/A HIS 78.A N THR 74.A O no hydrogen 3.054 N/A HIS 78.A N ALA 75.A O no hydrogen 3.263 N/A PHE 79.A N ALA 75.A O no hydrogen 2.816 N/A MET 80.A N VAL 158.A O no hydrogen 2.832 N/A HIS 83.A N MET 80.A O no hydrogen 2.963 N/A HIS 83.A NE2 ASN 44.A OD1 no hydrogen 2.837 N/A VAL 85.A N GLY 105.A O no hydrogen 3.118 N/A HIS 86.A N ILE 54.A O no hydrogen 2.880 N/A HIS 86.A NE2 SER 109.A OG no hydrogen 2.675 N/A TYR 87.A N GLN 107.A O no hydrogen 2.754 N/A TYR 87.A OH GLU 76.A OE2 no hydrogen 2.672 N/A TYR 88.A N LEU 56.A O no hydrogen 2.808 N/A TYR 88.A OH GLU 141.A OE1 no hydrogen 2.522 N/A VAL 89.A N SER 109.A O no hydrogen 2.890 N/A PHE 90.A N VAL 58.A O no hydrogen 2.878 N/A THR 91.A N LEU 111.A O no hydrogen 2.979 N/A THR 91.A OG1 ALA 60.A O no hydrogen 2.673 N/A GLN 93.A N THR 91.A OG1 no hydrogen 2.914 N/A GLN 93.A NE2 LYS 62.A O no hydrogen 2.790 N/A GLN 93.A NE2 ASP 92.A OD1 no hydrogen 2.916 N/A ALA 96.A N GLN 93.A O no hydrogen 2.930 N/A VAL 97.A N PRO 94.A O no hydrogen 3.321 N/A GLY 103.A N GLU 76.A OE1 no hydrogen 2.805 N/A ARG 106.A N GLY 103.A O no hydrogen 3.290 N/A ARG 106.A NE GLU 76.A OE2 no hydrogen 2.721 N/A ARG 106.A NH1 PHE 79.A O no hydrogen 2.983 N/A ARG 106.A NH1 MET 80.A O no hydrogen 3.448 N/A ARG 106.A NH2 GLU 76.A OE2 no hydrogen 3.540 N/A ARG 106.A NH2 PHE 79.A O no hydrogen 2.893 N/A ARG 106.A NH2 TYR 87.A OH no hydrogen 2.845 N/A GLN 107.A N VAL 85.A O no hydrogen 2.930 N/A SER 109.A N TYR 87.A O no hydrogen 2.818 N/A SER 109.A OG HIS 86.A NE2 no hydrogen 2.675 N/A LEU 111.A N VAL 89.A O no hydrogen 2.793 N/A VAL 113.A N THR 91.A O no hydrogen 3.002 N/A ARG 118.A NH1 ASP 121.A OD2 no hydrogen 3.002 N/A ARG 118.A NH1 GLU 235.A OE1 no hydrogen 3.068 N/A ARG 118.A NH2 GLU 235.A OE1 no hydrogen 3.267 N/A ARG 118.A NH2 GLU 235.A OE2 no hydrogen 2.844 N/A GLN 120.A N GLN 120.A OE1 no hydrogen 2.740 N/A VAL 122.A N ARG 118.A O no hydrogen 2.984 N/A SER 123.A N TRP 119.A O no hydrogen 2.923 N/A SER 123.A OG ASP 240.A OD1 no hydrogen 2.772 N/A SER 123.A OG ASP 240.A OD2 no hydrogen 3.345 N/A MET 124.A N GLN 120.A O no hydrogen 2.897 N/A ARG 125.A N ASP 121.A O no hydrogen 2.819 N/A ARG 125.A NH2 GLU 128.A OE1 no hydrogen 2.635 N/A ARG 126.A N SER 123.A O no hydrogen 3.377 N/A ARG 126.A NE SER 123.A O no hydrogen 3.043 N/A ARG 126.A NH1 ASP 149.A OD1 no hydrogen 2.754 N/A ARG 126.A NH2 ASP 149.A OD1 no hydrogen 3.431 N/A ARG 126.A NH2 ASP 240.A OD2 no hydrogen 2.887 N/A MET 127.A N MET 124.A O no hydrogen 3.206 N/A MET 129.A N ARG 125.A O no hydrogen 2.922 N/A ILE 130.A N ARG 126.A O no hydrogen 2.760 N/A SER 131.A N MET 127.A O no hydrogen 2.973 N/A SER 131.A OG.A MET 127.A O no hydrogen 3.029 N/A SER 131.A OG.A GLU 128.A O no hydrogen 2.647 N/A ASP 132.A N GLU 128.A O no hydrogen 2.857 N/A PHE 133.A N MET 129.A O no hydrogen 3.122 N/A CYS 134.A N ILE 130.A O no hydrogen 2.838 N/A CYS 134.A N SER 131.A O no hydrogen 3.241 N/A CYS 134.A SG ILE 130.A O no hydrogen 3.352 N/A ARG 136.A N ASP 132.A O no hydrogen 2.983 N/A ARG 137.A N PHE 133.A O no hydrogen 2.809 N/A ARG 137.A NE GLU 141.A OE1 no hydrogen 3.189 N/A ARG 137.A NE GLU 141.A OE2 no hydrogen 3.006 N/A ARG 137.A NH2 GLU 141.A OE1 no hydrogen 3.137 N/A PHE 138.A N PHE 133.A O no hydrogen 2.912 N/A LEU 139.A N CYS 134.A O no hydrogen 3.088 N/A SER 140.A N ARG 137.A O no hydrogen 3.147 N/A SER 140.A OG ARG 137.A O no hydrogen 3.018 N/A GLU 141.A N ARG 137.A O no hydrogen 3.069 N/A GLU 141.A N PHE 138.A O no hydrogen 3.142 N/A VAL 142.A N PHE 138.A O no hydrogen 3.009 N/A ASP 143.A N THR 53.A O no hydrogen 2.811 N/A TYR 144.A N THR 53.A O no hydrogen 3.263 N/A LEU 145.A N GLY 210.A O no hydrogen 2.790 N/A VAL 146.A N GLY 55.A O no hydrogen 2.740 N/A CYS 147.A N PHE 208.A O no hydrogen 2.787 N/A CYS 147.A SG THR 57.A OG1 no hydrogen 3.363 N/A VAL 148.A N THR 57.A O no hydrogen 3.147 N/A ASP 149.A N ALA 206.A O no hydrogen 3.052 N/A MET 152.A N VAL 150.A O no hydrogen 2.796 N/A GLU 153.A N THR 280.A O no hydrogen 2.891 N/A PHE 154.A N THR 74.A OG1 no hydrogen 2.926 N/A ARG 155.A N ARG 278.A O no hydrogen 2.676 N/A ARG 155.A NH1 GLN 265.A OE1 no hydrogen 2.533 N/A ARG 155.A NH2 GLN 265.A OE1 no hydrogen 2.994 N/A ASP 156.A N ARG 278.A O no hydrogen 3.282 N/A HIS 157.A N ASP 156.A OD1 no hydrogen 2.733 N/A HIS 157.A NE2 GLU 161.A OE1 no hydrogen 2.699 N/A VAL 158.A N HIS 78.A O no hydrogen 2.884 N/A GLY 159.A N GLU 161.A OE2 no hydrogen 2.890 N/A GLU 161.A N GLU 161.A OE1 no hydrogen 2.820 N/A ILE 162.A N GLY 159.A O no hydrogen 3.060 N/A LEU 163.A N VAL 160.A O no hydrogen 3.028 N/A THR 164.A OG1 THR 254.A OG1 no hydrogen 2.598 N/A LEU 166.A N THR 254.A OG1 no hydrogen 3.004 N/A PHE 167.A N GLY 209.A O no hydrogen 2.850 N/A THR 169.A OG1 PHE 207.A O no hydrogen 2.855 N/A LEU 170.A N LEU 257.A O no hydrogen 2.849 N/A HIS 171.A N TYR 202.A O no hydrogen 3.015 N/A GLY 173.A N HIS 171.A ND1 no hydrogen 2.898 N/A PHE 174.A N HIS 171.A O no hydrogen 3.153 N/A SER 177.A N PHE 174.A O no hydrogen 2.936 N/A SER 178.A OG GLU 180.A OE1 no hydrogen 3.437 N/A ARG 179.A NE GLY 199.A O no hydrogen 2.883 N/A ARG 179.A NH2 GLY 199.A O no hydrogen 2.956 N/A ALA 181.A N SER 178.A O no hydrogen 2.894 N/A PHE 182.A N ARG 179.A O no hydrogen 3.013 N/A THR 183.A OG1 TYR 202.A OH no hydrogen 3.193 N/A TYR 184.A OH PHE 201.A O no hydrogen 2.695 N/A ARG 186.A NH1 ILE 194.A O no hydrogen 2.867 N/A ARG 186.A NH2 ARG 179.A O no hydrogen 2.937 N/A ARG 186.A NH2 PHE 182.A O no hydrogen 3.006 N/A ARG 187.A N GLU 185.A OE1 no hydrogen 2.817 N/A ARG 187.A NE GLU 185.A OE1 no hydrogen 2.805 N/A ARG 187.A NH2 GLU 185.A OE2 no hydrogen 2.926 N/A ARG 187.A NH2 GLU 235.A O no hydrogen 2.836 N/A SER 190.A N ARG 187.A O no hydrogen 3.000 N/A SER 190.A OG ASP 229.A OD2 no hydrogen 2.858 N/A GLN 191.A N ASP 229.A OD1 no hydrogen 2.801 N/A ALA 192.A N SER 190.A OG no hydrogen 2.968 N/A TYR 193.A N SER 190.A O no hydrogen 3.102 N/A ILE 194.A N GLU 185.A O no hydrogen 2.975 N/A GLU 198.A N PRO 195.A O no hydrogen 3.074 N/A TYR 202.A OH GLU 241.A OE2 no hydrogen 2.608 N/A TYR 203.A N ASN 245.A OD1 no hydrogen 2.765 N/A GLY 204.A N THR 169.A O no hydrogen 2.843 N/A GLY 205.A N GLU 241.A OE1 no hydrogen 2.810 N/A PHE 207.A N GLY 204.A O no hydrogen 3.508 N/A PHE 208.A N CYS 147.A O no hydrogen 3.062 N/A GLY 209.A N PHE 167.A O no hydrogen 3.176 N/A GLY 210.A N LEU 145.A O no hydrogen 2.943 N/A SER 211.A N PRO 165.A O no hydrogen 2.896 N/A VAL 212.A N ASP 143.A O no hydrogen 3.230 N/A GLU 214.A N SER 211.A OG no hydrogen 3.132 N/A VAL 215.A N SER 211.A O no hydrogen 2.966 N/A GLN 216.A N VAL 212.A O no hydrogen 2.811 N/A GLN 216.A NE2 GLU 135.A OE2 no hydrogen 2.852 N/A ARG 217.A N GLN 213.A O no hydrogen 3.006 N/A LEU 218.A N GLU 214.A O no hydrogen 2.954 N/A THR 219.A N VAL 215.A O no hydrogen 2.898 N/A THR 219.A OG1 VAL 215.A O no hydrogen 2.847 N/A THR 219.A OG1 GLN 216.A O no hydrogen 3.317 N/A ARG 220.A N GLN 216.A O no hydrogen 2.904 N/A ALA 221.A N ARG 217.A O no hydrogen 2.925 N/A CYS 222.A N LEU 218.A O no hydrogen 2.910 N/A CYS 222.A SG LEU 218.A O no hydrogen 3.352 N/A HIS 223.A N THR 219.A O no hydrogen 2.944 N/A GLN 224.A N ARG 220.A O no hydrogen 2.869 N/A ALA 225.A N ALA 221.A O no hydrogen 2.954 N/A MET 226.A N CYS 222.A O no hydrogen 2.895 N/A MET 227.A N HIS 223.A O no hydrogen 2.908 N/A VAL 228.A N GLN 224.A O no hydrogen 2.934 N/A ASP 229.A N ALA 225.A O no hydrogen 2.955 N/A GLN 230.A N MET 226.A O no hydrogen 2.815 N/A ALA 231.A N MET 227.A O no hydrogen 2.922 N/A ASN 232.A N VAL 228.A O no hydrogen 2.931 N/A GLY 233.A N GLN 230.A O no hydrogen 3.004 N/A ILE 234.A N ASP 229.A O no hydrogen 3.042 N/A VAL 237.A N GLU 185.A OE2 no hydrogen 2.752 N/A TRP 238.A N SER 242.A OG no hydrogen 2.845 N/A HIS 239.A N ALA 236.A O no hydrogen 3.026 N/A SER 242.A N TRP 238.A O no hydrogen 3.347 N/A SER 242.A N HIS 239.A O no hydrogen 3.022 N/A HIS 243.A N HIS 239.A O no hydrogen 3.415 N/A LEU 244.A N ASP 240.A O no hydrogen 2.794 N/A ASN 245.A N GLU 241.A O no hydrogen 2.957 N/A ASN 245.A ND2 TYR 203.A O no hydrogen 2.846 N/A ASN 245.A ND2 GLU 241.A O no hydrogen 2.909 N/A LYS 246.A N SER 242.A O no hydrogen 3.091 N/A LYS 246.A NZ GLN 191.A O no hydrogen 2.950 N/A LYS 246.A NZ TYR 193.A O no hydrogen 2.842 N/A TYR 247.A N HIS 243.A O no hydrogen 2.901 N/A LEU 248.A N LEU 244.A O no hydrogen 2.922 N/A LEU 249.A N ASN 245.A O no hydrogen 2.997 N/A ARG 250.A N LYS 246.A O no hydrogen 3.302 N/A HIS 251.A N TYR 247.A O no hydrogen 2.790 N/A HIS 251.A ND1 TYR 247.A O no hydrogen 2.825 N/A LYS 252.A NZ ASP 200.A OD2 no hydrogen 2.719 N/A LYS 252.A NZ LEU 249.A O no hydrogen 2.953 N/A THR 254.A N LEU 166.A O no hydrogen 2.700 N/A THR 254.A OG1 THR 164.A OG1 no hydrogen 2.598 N/A THR 254.A OG1 LEU 166.A O no hydrogen 3.142 N/A LYS 255.A N LEU 166.A O no hydrogen 3.317 N/A LYS 255.A NZ GLU 161.A O no hydrogen 2.826 N/A LYS 255.A NZ LEU 163.A O no hydrogen 2.805 N/A VAL 256.A N PRO 31.A O no hydrogen 2.897 N/A LEU 257.A N GLY 168.A O no hydrogen 2.819 N/A SER 258.A N VAL 33.A O no hydrogen 3.137 N/A SER 258.A OG VAL 33.A O no hydrogen 2.753 N/A GLU 260.A N SER 258.A OG no hydrogen 3.392 N/A TYR 261.A N SER 258.A O no hydrogen 3.024 N/A TYR 261.A OH GLU 161.A OE2 no hydrogen 2.721 N/A LEU 262.A N PRO 259.A O no hydrogen 3.074 N/A TRP 263.A N PHE 279.A O no hydrogen 3.019 N/A TRP 263.A NE1 GLY 269.A O no hydrogen 2.709 N/A LEU 267.A N ASP 264.A OD1 no hydrogen 2.923 N/A LEU 268.A N ASP 264.A O no hydrogen 2.926 N/A GLY 269.A N GLN 265.A O no hydrogen 2.775 N/A TRP 270.A NE1 LEU 274.A O no hydrogen 2.734 N/A LEU 274.A N PRO 271.A O no hydrogen 3.007 N/A ARG 278.A N GLU 260.A O no hydrogen 2.843 N/A ARG 278.A NE GLU 260.A OE1 no hydrogen 2.812 N/A ARG 278.A NH1 HIS 157.A O no hydrogen 2.913 N/A ARG 278.A NH2 GLU 35.A OE1 no hydrogen 2.809 N/A ARG 278.A NH2 GLU 260.A OE1 no hydrogen 2.923 N/A THR 280.A N GLU 153.A O no hydrogen 2.919 N/A ALA 281.A N TRP 263.A O no hydrogen 2.810 N/A VAL 282.A N ASP 151.A O no hydrogen 3.055 N/A LYS 284.A NZ ASP 151.A OD2 no hydrogen 2.686 N/A