Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3njd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N ASP 2.A OD1 no hydrogen 2.868 N/A ASN 5.A N ASP 2.A O no hydrogen 2.851 N/A LYS 7.A N GLU 38.A OE2 no hydrogen 2.765 N/A THR 8.A N GLU 38.A OE1 no hydrogen 2.855 N/A THR 8.A OG1 GLU 38.A OE1 no hydrogen 2.747 N/A THR 10.A N THR 21.A O no hydrogen 2.900 N/A THR 10.A OG1 THR 21.A O no hydrogen 3.336 N/A GLU 12.A N ARG 19.A O no hydrogen 3.054 N/A THR 14.A N VAL 17.A O no hydrogen 2.894 N/A ARG 16.A NH1 ALA 214.A O no hydrogen 2.837 N/A VAL 17.A N THR 14.A O no hydrogen 3.012 N/A ALA 18.A N VAL 54.A O no hydrogen 2.798 N/A ARG 19.A N GLU 12.A O no hydrogen 2.773 N/A ARG 19.A NE THR 14.A OG1 no hydrogen 2.929 N/A ARG 19.A NH1 GLU 207.A OE2 no hydrogen 2.813 N/A ARG 19.A NH2 THR 14.A OG1 no hydrogen 3.321 N/A ARG 19.A NH2 GLU 207.A OE1 no hydrogen 2.879 N/A ARG 19.A NH2 GLU 207.A OE2 no hydrogen 3.544 N/A ILE 20.A N LEU 56.A O no hydrogen 2.895 N/A THR 21.A N THR 10.A O no hydrogen 3.081 N/A PHE 22.A N SER 58.A O no hydrogen 2.805 N/A ASN 23.A N THR 8.A O no hydrogen 2.820 N/A ARG 24.A N ASN 29.A OD1 no hydrogen 2.978 N/A ARG 24.A NH1 ALA 30.A O no hydrogen 2.925 N/A GLU 26.A N GLU 26.A OE1.A no hydrogen 2.525 N/A GLU 26.A N GLU 26.A OE1.B no hydrogen 2.892 N/A LYS 27.A N ARG 24.A O no hydrogen 2.948 N/A GLY 28.A N PRO 25.A O no hydrogen 3.053 N/A ASN 29.A N ARG 24.A O no hydrogen 2.782 N/A ASN 29.A ND2 ARG 60.A O no hydrogen 2.861 N/A ASN 29.A ND2 GLY 63.A O no hydrogen 3.132 N/A ASN 29.A ND2 PHE 64.A O no hydrogen 3.114 N/A ALA 30.A N LYS 27.A O no hydrogen 3.138 N/A ILE 31.A N GLY 67.A O no hydrogen 2.925 N/A VAL 32.A N THR 35.A OG1 no hydrogen 2.947 N/A THR 35.A N VAL 32.A O no hydrogen 2.928 N/A THR 35.A OG1 VAL 32.A O no hydrogen 3.176 N/A GLU 38.A N ASP 34.A O no hydrogen 2.872 N/A LEU 39.A N THR 35.A O no hydrogen 2.881 N/A SER 40.A N PRO 36.A O no hydrogen 3.017 N/A SER 40.A OG.A PRO 36.A O no hydrogen 2.755 N/A SER 40.A OG.A LEU 37.A O no hydrogen 3.285 N/A ALA 41.A N LEU 37.A O no hydrogen 2.998 N/A LEU 42.A N GLU 38.A O no hydrogen 2.931 N/A VAL 43.A N LEU 39.A O no hydrogen 2.993 N/A GLU 44.A N SER 40.A O no hydrogen 3.036 N/A ARG 45.A N ALA 41.A O no hydrogen 3.017 N/A ALA 46.A N LEU 42.A O no hydrogen 2.952 N/A ASP 47.A N VAL 43.A O no hydrogen 2.881 N/A LEU 48.A N GLU 44.A O no hydrogen 3.026 N/A ASP 49.A N ALA 46.A O no hydrogen 3.247 N/A ASP 51.A N ASP 49.A OD1 no hydrogen 2.891 N/A VAL 52.A N ASP 49.A O no hydrogen 2.953 N/A HIS 53.A N ARG 16.A O no hydrogen 2.809 N/A HIS 53.A ND1 MET 216.A O no hydrogen 2.766 N/A VAL 54.A N ARG 16.A O no hydrogen 3.330 N/A ILE 55.A N PRO 116.A O no hydrogen 3.010 N/A LEU 56.A N ALA 18.A O no hydrogen 2.813 N/A VAL 57.A N VAL 118.A O no hydrogen 2.784 N/A SER 58.A N ILE 20.A O no hydrogen 3.127 N/A ARG 60.A N PHE 22.A O no hydrogen 3.206 N/A ARG 60.A NH1 THR 10.A OG1 no hydrogen 3.029 N/A ARG 60.A NH1 THR 21.A O no hydrogen 3.091 N/A ARG 60.A NH1 PHE 22.A O no hydrogen 3.276 N/A ARG 60.A NH2 THR 10.A OG1 no hydrogen 2.892 N/A PHE 64.A N HIS 122.A O no hydrogen 3.212 N/A PHE 64.A N TYR 124.A O no hydrogen 3.035 N/A CYS 65.A N TYR 124.A O no hydrogen 3.420 N/A CYS 65.A SG ASN 29.A O no hydrogen 3.383 N/A ALA 66.A N GLY 28.A O no hydrogen 3.132 N/A ASP 69.A N ILE 31.A O no hydrogen 2.862 N/A THR 74.A N TYR 71.A O no hydrogen 2.908 N/A THR 74.A OG1 TYR 71.A O no hydrogen 2.700 N/A LEU 76.A N THR 74.A OG1 no hydrogen 3.030 N/A SER 77.A N THR 74.A O no hydrogen 3.035 N/A SER 77.A OG THR 74.A O no hydrogen 3.440 N/A SER 77.A OG THR 80.A OG1 no hydrogen 2.861 N/A THR 80.A N SER 77.A OG no hydrogen 3.004 N/A THR 80.A OG1 SER 77.A OG no hydrogen 2.861 N/A GLN 81.A N SER 77.A O no hydrogen 2.923 N/A GLN 81.A NE2 VAL 75.A O no hydrogen 2.923 N/A GLN 81.A NE2 VAL 95.A O no hydrogen 3.182 N/A ALA 82.A N GLY 78.A O no hydrogen 2.816 N/A LEU 83.A N LYS 79.A O no hydrogen 2.979 N/A ASN 84.A N THR 80.A O no hydrogen 3.096 N/A ASN 84.A ND2 ASP 92.A O no hydrogen 2.922 N/A HIS 85.A N ALA 82.A O no hydrogen 2.923 N/A HIS 85.A ND1 GLN 81.A O no hydrogen 3.124 N/A LEU 86.A N LEU 83.A O no hydrogen 3.326 N/A ASP 92.A N ASN 84.A OD1 no hydrogen 2.800 N/A MET 94.A N ASP 92.A OD1 no hydrogen 2.940 N/A VAL 95.A N ASP 92.A OD1 no hydrogen 3.029 N/A ASP 96.A N ASP 92.A O no hydrogen 3.222 N/A TYR 97.A N PRO 93.A O no hydrogen 2.829 N/A GLN 98.A N MET 94.A O no hydrogen 2.909 N/A MET 100.A N ASP 96.A O no hydrogen 2.827 N/A SER 101.A N TYR 97.A O no hydrogen 2.857 N/A SER 101.A OG TYR 97.A O no hydrogen 2.688 N/A SER 101.A OG GLN 98.A O no hydrogen 3.512 N/A ARG 102.A N MET 99.A O no hydrogen 3.154 N/A ARG 102.A NH1 GLN 98.A O no hydrogen 2.908 N/A VAL 104.A N MET 100.A O no hydrogen 3.159 N/A ARG 105.A N SER 101.A O no hydrogen 2.800 N/A GLY 106.A N ARG 102.A O no hydrogen 3.210 N/A PHE 107.A N PHE 103.A O no hydrogen 3.042 N/A ALA 108.A N VAL 104.A O no hydrogen 2.782 N/A SER 109.A N GLY 106.A O no hydrogen 3.261 N/A SER 109.A OG GLY 106.A O no hydrogen 2.744 N/A LEU 110.A N PHE 107.A O no hydrogen 3.162 N/A MET 111.A N ALA 108.A O no hydrogen 2.912 N/A HIS 112.A N ALA 108.A O no hydrogen 2.996 N/A CYS 113.A N SER 109.A O no hydrogen 2.971 N/A CYS 113.A SG SER 109.A O no hydrogen 3.125 N/A CYS 113.A SG LEU 110.A O no hydrogen 3.699 N/A CYS 113.A SG LYS 115.A O no hydrogen 3.354 N/A ASP 114.A N ASP 47.A OD2 no hydrogen 2.851 N/A LYS 115.A N ASP 47.A OD1 no hydrogen 2.931 N/A LYS 115.A NZ ALA 46.A O no hydrogen 3.040 N/A LYS 115.A NZ ASP 47.A O no hydrogen 3.043 N/A LYS 115.A NZ VAL 52.A O no hydrogen 2.752 N/A THR 117.A N ASP 137.A OD2 no hydrogen 2.935 N/A THR 117.A OG1 LEU 110.A O no hydrogen 2.763 N/A THR 117.A OG1 ASP 137.A OD2 no hydrogen 3.242 N/A VAL 118.A N ILE 55.A O no hydrogen 2.867 N/A VAL 119.A N GLN 138.A O no hydrogen 2.856 N/A LYS 120.A N VAL 57.A O no hydrogen 2.969 N/A LYS 120.A NZ ASP 203.A OD1 no hydrogen 2.887 N/A ILE 121.A N ILE 140.A O no hydrogen 2.874 N/A HIS 122.A NE2 GLY 61.A O no hydrogen 2.779 N/A TYR 124.A N HIS 122.A O no hydrogen 2.821 N/A CYS 125.A N LYS 146.A O no hydrogen 2.808 N/A VAL 126.A N CYS 65.A O no hydrogen 3.170 N/A ALA 127.A N GLY 148.A O no hydrogen 2.866 N/A GLY 129.A N VAL 126.A O no hydrogen 2.941 N/A THR 130.A N ALA 127.A O no hydrogen 2.906 N/A THR 130.A OG1 ALA 127.A O no hydrogen 2.712 N/A ILE 132.A N GLY 129.A O no hydrogen 3.247 N/A ALA 133.A N GLY 129.A O no hydrogen 3.007 N/A LEU 134.A N THR 130.A O no hydrogen 3.040 N/A HIS 135.A N ILE 132.A O no hydrogen 3.124 N/A HIS 135.A ND1 ASP 131.A O no hydrogen 2.816 N/A ALA 136.A N ALA 133.A O no hydrogen 3.037 N/A ASP 137.A N THR 117.A OG1 no hydrogen 2.966 N/A GLN 138.A N THR 117.A O no hydrogen 2.915 N/A GLN 138.A NE2 ASP 137.A O no hydrogen 2.873 N/A ILE 140.A N VAL 119.A O no hydrogen 2.972 N/A ALA 141.A N GLU 195.A O no hydrogen 3.231 N/A ALA 142.A N ILE 121.A O no hydrogen 2.888 N/A ALA 143.A N PRO 197.A O no hydrogen 2.783 N/A ALA 145.A N ALA 142.A O no hydrogen 2.965 N/A LYS 146.A N GLY 123.A O no hydrogen 3.026 N/A LYS 146.A NZ ASP 282.A O no hydrogen 2.732 N/A LYS 146.A NZ GLY 284.A O no hydrogen 2.466 N/A LYS 146.A NZ ARG 286.A O no hydrogen 3.331 N/A ILE 147.A N ILE 182.A O no hydrogen 2.909 N/A GLY 148.A N CYS 125.A O no hydrogen 3.355 N/A MET 152.A N TYR 149.A O no hydrogen 3.165 N/A ARG 153.A N PRO 150.A O no hydrogen 2.925 N/A ARG 153.A NE THR 178.A O no hydrogen 2.805 N/A ARG 153.A NH1 ASP 277.A OD1 no hydrogen 2.816 N/A ARG 153.A NH1 ASP 282.A OD1 no hydrogen 2.845 N/A ARG 153.A NH1 ASP 282.A OD2 no hydrogen 3.519 N/A ARG 153.A NH2 THR 178.A O no hydrogen 3.344 N/A ARG 153.A NH2 ASP 180.A OD1 no hydrogen 2.814 N/A ARG 153.A NH2 ASP 282.A OD1 no hydrogen 3.517 N/A ARG 153.A NH2 ASP 282.A OD2 no hydrogen 2.775 N/A GLY 156.A N PRO 151.A O no hydrogen 3.164 N/A VAL 157.A N ASP 248.A OD1 no hydrogen 3.089 N/A ALA 160.A N ASP 131.A OD1 no hydrogen 2.997 N/A GLY 161.A N PRO 158.A O no hydrogen 2.963 N/A HIS 165.A ND1 GLN 235.A OE1 no hydrogen 2.817 N/A HIS 165.A NE2 SER 240.A OG no hydrogen 2.763 N/A ARG 166.A N LEU 162.A O no hydrogen 2.944 N/A ARG 166.A NE LEU 134.A O no hydrogen 2.835 N/A ARG 166.A NH2 LEU 134.A O no hydrogen 3.003 N/A LEU 167.A N TRP 163.A O no hydrogen 2.860 N/A GLY 168.A N ALA 164.A O no hydrogen 2.901 N/A ALA 172.A N GLY 168.A O no hydrogen 3.034 N/A LYS 173.A N ASP 169.A O no hydrogen 2.940 N/A LYS 173.A NZ ASP 169.A OD1 no hydrogen 3.129 N/A LYS 173.A NZ ASP 169.A OD2 no hydrogen 2.794 N/A ARG 174.A N GLN 170.A O no hydrogen 2.934 N/A ARG 174.A NH1 ARG 174.A O no hydrogen 3.098 N/A ARG 174.A NH1 ASP 180.A OD2 no hydrogen 2.891 N/A ARG 174.A NH2 ASP 180.A OD2 no hydrogen 3.510 N/A LEU 175.A N ARG 171.A O no hydrogen 3.367 N/A LEU 175.A N ALA 172.A O no hydrogen 3.189 N/A LEU 176.A N ALA 172.A O no hydrogen 2.795 N/A PHE 177.A N LYS 173.A O no hydrogen 2.797 N/A THR 178.A N LEU 175.A O no hydrogen 3.426 N/A THR 178.A OG1 ARG 174.A O no hydrogen 2.769 N/A THR 178.A OG1 LEU 175.A O no hydrogen 3.477 N/A GLY 179.A N LEU 175.A O no hydrogen 2.846 N/A ASP 180.A N THR 178.A OG1 no hydrogen 3.115 N/A CYS 181.A N SER 288.A OG no hydrogen 2.913 N/A ILE 182.A N ILE 147.A O no hydrogen 2.847 N/A THR 183.A N GLN 186.A OE1 no hydrogen 3.075 N/A GLY 184.A N ALA 145.A O no hydrogen 2.917 N/A ALA 185.A N ALA 143.A O no hydrogen 3.014 N/A GLN 186.A N THR 183.A OG1 no hydrogen 3.049 N/A GLN 186.A NE2 VAL 290.A OXT no hydrogen 2.880 N/A ALA 187.A N THR 183.A O no hydrogen 2.897 N/A ALA 188.A N GLY 184.A O no hydrogen 3.027 N/A GLU 189.A N ALA 185.A O no hydrogen 3.124 N/A TRP 190.A N GLN 186.A O no hydrogen 2.819 N/A GLY 191.A N ALA 188.A O no hydrogen 3.003 N/A LEU 192.A N ALA 187.A O no hydrogen 2.780 N/A ALA 193.A N ALA 187.A O no hydrogen 3.057 N/A VAL 194.A N VAL 139.A O no hydrogen 2.829 N/A ALA 200.A N ASP 198.A OD1.A no hydrogen 2.890 N/A ASP 201.A N ASP 198.A O no hydrogen 2.818 N/A LEU 202.A N PRO 199.A O no hydrogen 3.356 N/A ARG 205.A N ASP 201.A O no hydrogen 2.963 N/A ARG 205.A NE GLU 195.A OE2 no hydrogen 2.775 N/A ARG 205.A NH2 GLU 195.A OE1 no hydrogen 3.433 N/A ARG 205.A NH2 GLU 195.A OE2 no hydrogen 3.176 N/A THR 206.A N LEU 202.A O no hydrogen 2.866 N/A THR 206.A OG1 LEU 202.A O no hydrogen 2.777 N/A GLU 207.A N ASP 203.A O no hydrogen 2.963 N/A ARG 208.A N ALA 204.A O no hydrogen 2.974 N/A LEU 209.A N ARG 205.A O no hydrogen 3.011 N/A VAL 210.A N THR 206.A O no hydrogen 2.898 N/A GLU 211.A N GLU 207.A O no hydrogen 2.955 N/A ARG 212.A N ARG 208.A O no hydrogen 3.018 N/A ILE 213.A N LEU 209.A O no hydrogen 3.129 N/A ALA 214.A N VAL 210.A O no hydrogen 2.809 N/A ALA 215.A N GLU 211.A O no hydrogen 3.005 N/A MET 216.A N ILE 213.A O no hydrogen 3.028 N/A LEU 221.A N PRO 217.A O no hydrogen 3.102 N/A ILE 222.A N VAL 218.A O no hydrogen 2.926 N/A MET 223.A N ASN 219.A O no hydrogen 3.064 N/A ALA 224.A N GLN 220.A O no hydrogen 2.972 N/A LYS 225.A N LEU 221.A O no hydrogen 3.038 N/A LYS 225.A NZ LEU 110.A O no hydrogen 3.135 N/A LYS 225.A NZ CYS 113.A O no hydrogen 3.207 N/A LYS 225.A NZ LYS 115.A O no hydrogen 3.064 N/A LYS 225.A NZ ASP 137.A OD1 no hydrogen 3.370 N/A LYS 225.A NZ ASP 137.A OD2 no hydrogen 2.678 N/A LEU 226.A N ILE 222.A O no hydrogen 2.904 N/A ALA 227.A N MET 223.A O no hydrogen 2.918 N/A CYS 228.A N ALA 224.A O no hydrogen 2.958 N/A CYS 228.A SG ALA 224.A O no hydrogen 3.430 N/A ASN 229.A N LYS 225.A O no hydrogen 2.837 N/A ASN 229.A ND2 MET 111.A O no hydrogen 3.047 N/A THR 230.A N LEU 226.A O no hydrogen 3.200 N/A THR 230.A N ALA 227.A O no hydrogen 3.260 N/A THR 230.A OG1 ALA 227.A O no hydrogen 2.801 N/A LEU 232.A N CYS 228.A O no hydrogen 3.279 N/A LEU 233.A N ASN 229.A O no hydrogen 2.891 N/A ASN 234.A N THR 230.A O no hydrogen 3.185 N/A GLN 235.A N LEU 232.A O no hydrogen 3.067 N/A GLY 236.A N LEU 233.A O no hydrogen 3.155 N/A SER 240.A N GLY 236.A O no hydrogen 3.008 N/A SER 240.A OG HIS 165.A NE2 no hydrogen 2.763 N/A SER 240.A OG GLY 236.A O no hydrogen 3.351 N/A GLN 241.A N VAL 237.A O no hydrogen 2.908 N/A GLN 241.A NE2 HIS 135.A NE2 no hydrogen 2.918 N/A GLN 241.A NE2 ALA 160.A O no hydrogen 2.852 N/A MET 242.A N ALA 238.A O no hydrogen 2.963 N/A VAL 243.A N THR 239.A O no hydrogen 2.964 N/A SER 244.A N SER 240.A O no hydrogen 3.035 N/A SER 244.A OG SER 240.A O no hydrogen 2.780 N/A THR 245.A N GLN 241.A O no hydrogen 3.012 N/A THR 245.A OG1 ALA 159.A O no hydrogen 2.889 N/A THR 245.A OG1 GLN 241.A O no hydrogen 2.979 N/A VAL 246.A N MET 242.A O no hydrogen 3.114 N/A PHE 247.A N VAL 243.A O no hydrogen 2.878 N/A ASP 248.A N SER 244.A O no hydrogen 2.828 N/A GLY 249.A N THR 245.A O no hydrogen 3.206 N/A ILE 250.A N VAL 246.A O no hydrogen 3.052 N/A ALA 251.A N PHE 247.A O no hydrogen 2.879 N/A ARG 252.A N ASP 248.A O no hydrogen 3.106 N/A ARG 252.A N GLY 249.A O no hydrogen 3.092 N/A ARG 252.A NE ASP 248.A OD2 no hydrogen 3.050 N/A ARG 252.A NH1 HIS 85.A NE2 no hydrogen 3.063 N/A ARG 252.A NH1 ASP 96.A OD1 no hydrogen 3.477 N/A ARG 252.A NH1 ASP 96.A OD2 no hydrogen 2.736 N/A ARG 252.A NH2 ASP 96.A OD1 no hydrogen 2.797 N/A ARG 252.A NH2 ASP 248.A OD2 no hydrogen 2.960 N/A HIS 253.A N ILE 250.A O no hydrogen 2.904 N/A HIS 253.A ND1 GLY 249.A O no hydrogen 2.699 N/A HIS 253.A NE2 ASN 84.A O no hydrogen 2.653 N/A THR 254.A OG1 ALA 251.A O no hydrogen 3.471 N/A GLU 256.A N GLU 256.A OE1 no hydrogen 2.783 N/A GLY 257.A N THR 254.A OG1 no hydrogen 3.134 N/A HIS 258.A N THR 254.A O no hydrogen 2.954 N/A ALA 259.A N PRO 255.A O no hydrogen 2.932 N/A PHE 260.A N GLU 256.A O no hydrogen 3.006 N/A VAL 261.A N GLY 257.A O no hydrogen 3.093 N/A ALA 262.A N HIS 258.A O no hydrogen 2.922 N/A THR 263.A N ALA 259.A O no hydrogen 3.032 N/A THR 263.A OG1 ALA 259.A O no hydrogen 3.142 N/A ALA 264.A N PHE 260.A O no hydrogen 2.958 N/A ARG 265.A N VAL 261.A O no hydrogen 2.948 N/A GLU 266.A N ALA 262.A O no hydrogen 3.131 N/A HIS 267.A N THR 263.A O no hydrogen 2.821 N/A ALA 272.A N GLY 268.A O no hydrogen 3.059 N/A VAL 273.A N PHE 269.A O no hydrogen 2.902 N/A ARG 274.A N ARG 270.A O no hydrogen 2.996 N/A ARG 274.A NE GLU 271.A OE1 no hydrogen 2.899 N/A ARG 274.A NE GLU 271.A OE2 no hydrogen 3.399 N/A ARG 274.A NH2 GLU 271.A OE2 no hydrogen 2.967 N/A ARG 275.A N GLU 271.A O no hydrogen 2.963 N/A ARG 275.A NE GLU 271.A OE2 no hydrogen 2.903 N/A ARG 276.A N ALA 272.A O no hydrogen 3.037 N/A ARG 276.A NE ASP 277.A OD1 no hydrogen 2.819 N/A ARG 276.A NH2 ASP 277.A OD1 no hydrogen 3.562 N/A ARG 276.A NH2 ASP 277.A OD2 no hydrogen 2.898 N/A ASP 277.A N VAL 273.A O no hydrogen 2.977 N/A GLU 278.A N ARG 274.A O no hydrogen 2.778 N/A MET 280.A N ASP 277.A O no hydrogen 2.884 N/A GLY 281.A N GLU 278.A O no hydrogen 2.964 N/A ARG 286.A N HIS 283.A O no hydrogen 3.154 N/A SER 288.A OG CYS 181.A O no hydrogen 3.457 N/A SER 288.A OG ASP 282.A OD2 no hydrogen 2.639 N/A