Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4i94_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 ASN 49.A O no hydrogen 2.786 N/A HIS 4.A N HIS 1.A O no hydrogen 2.799 N/A SER 7.A OG GLU 102.A OE1 no hydrogen 2.748 N/A ARG 11.A N LEU 88.A O no hydrogen 2.998 N/A PHE 13.A N CYS 90.A O no hydrogen 2.821 N/A SER 14.A OG THR 17.A OG1 no hydrogen 2.877 N/A ILE 15.A N GLU 93.A OE2 no hydrogen 2.916 N/A THR 17.A N SER 14.A OG no hydrogen 3.091 N/A THR 17.A OG1 SER 14.A OG no hydrogen 2.877 N/A ILE 18.A N SER 14.A O no hydrogen 3.131 N/A ARG 19.A N ILE 15.A O no hydrogen 2.797 N/A ARG 19.A NH1 ASP 94.A OD2 no hydrogen 3.457 N/A ARG 19.A NH2 ASP 94.A OD2 no hydrogen 3.114 N/A ASN 20.A N GLU 16.A O no hydrogen 2.887 N/A ALA 21.A N THR 17.A O no hydrogen 2.941 N/A THR 22.A N ILE 18.A O no hydrogen 3.095 N/A THR 22.A N ARG 19.A O no hydrogen 3.348 N/A THR 22.A OG1 ILE 18.A O no hydrogen 2.979 N/A THR 22.A OG1 ARG 19.A O no hydrogen 3.486 N/A GLY 24.A N ARG 19.A O no hydrogen 2.729 N/A PHE 25.A N THR 22.A OG1 no hydrogen 2.952 N/A ALA 26.A N THR 22.A O no hydrogen 3.125 N/A ASN 29.A N ALA 26.A O no hydrogen 2.917 N/A ASN 29.A ND2 THR 22.A O no hydrogen 2.992 N/A ILE 30.A N ALA 27.A O no hydrogen 3.015 N/A VAL 31.A N VAL 42.A O no hydrogen 2.834 N/A SER 32.A N VAL 42.A O no hydrogen 3.461 N/A SER 32.A OG VAL 42.A O no hydrogen 3.547 N/A ARG 37.A N HIS 34.A O no hydrogen 2.975 N/A VAL 41.A N ARG 57.A O no hydrogen 3.136 N/A VAL 42.A N SER 32.A OG no hydrogen 2.961 N/A TYR 43.A N VAL 55.A O no hydrogen 2.795 N/A LYS 44.A N ASN 29.A O no hydrogen 2.786 N/A GLY 45.A N ILE 53.A O no hydrogen 2.843 N/A LYS 46.A N ALA 21.A O no hydrogen 2.973 N/A LYS 46.A NZ GLN 50.A OE1 no hydrogen 3.486 N/A LEU 47.A N ARG 51.A O no hydrogen 2.898 N/A GLN 50.A N LEU 47.A O no hydrogen 2.726 N/A GLN 50.A NE2 GLU 48.A O no hydrogen 3.015 N/A ILE 53.A N GLY 45.A O no hydrogen 2.888 N/A ALA 54.A N ALA 101.A O no hydrogen 2.835 N/A VAL 55.A N TYR 43.A O no hydrogen 2.771 N/A LYS 56.A N LEU 99.A O no hydrogen 2.779 N/A ARG 57.A N VAL 41.A O no hydrogen 2.760 N/A ARG 57.A NE GLU 96.A OE1 no hydrogen 2.919 N/A ARG 57.A NH2 GLU 96.A OE1 no hydrogen 3.561 N/A ARG 57.A NH2 GLU 96.A OE2 no hydrogen 2.947 N/A PHE 58.A N ARG 97.A O no hydrogen 2.961 N/A ARG 60.A NE GLU 95.A OE2 no hydrogen 2.750 N/A SER 62.A N ASN 59.A O no hydrogen 2.915 N/A SER 62.A OG ASN 59.A O no hydrogen 3.514 N/A TRP 63.A N ARG 60.A O no hydrogen 3.058 N/A ARG 67.A N ASP 65.A OD2 no hydrogen 3.004 N/A ARG 67.A NE ASP 65.A OD2 no hydrogen 3.019 N/A ARG 67.A NH2 ASP 65.A OD1 no hydrogen 2.854 N/A PHE 69.A N ASP 65.A O no hydrogen 3.151 N/A LEU 70.A N SER 66.A O no hydrogen 2.850 N/A GLU 71.A N ARG 67.A O no hydrogen 3.067 N/A GLU 72.A N GLN 68.A O no hydrogen 3.108 N/A ALA 73.A N PHE 69.A O no hydrogen 2.872 N/A LYS 74.A N LEU 70.A O no hydrogen 2.692 N/A ALA 75.A N GLU 71.A O no hydrogen 3.050 N/A VAL 76.A N GLU 72.A O no hydrogen 3.050 N/A GLY 77.A N ALA 73.A O no hydrogen 2.860 N/A GLN 78.A N ALA 75.A O no hydrogen 3.219 N/A LEU 79.A N VAL 76.A O no hydrogen 3.058 N/A ARG 80.A N TYR 139.A OH no hydrogen 2.775 N/A ARG 80.A NE GLY 8.A O no hydrogen 3.090 N/A ARG 80.A NH1 LEU 79.A O no hydrogen 2.796 N/A ARG 80.A NH1 LEU 87.A O no hydrogen 2.937 N/A ARG 80.A NH2 GLY 8.A O no hydrogen 2.779 N/A ARG 80.A NH2 LEU 87.A O no hydrogen 2.974 N/A ASN 81.A N ASN 86.A OD1 no hydrogen 2.978 N/A ARG 83.A NE GLN 135.A OE1 no hydrogen 2.774 N/A ARG 83.A NH1 GLN 135.A OE1 no hydrogen 2.860 N/A MET 84.A N ASN 81.A O no hydrogen 3.062 N/A ALA 85.A N LEU 166.A O no hydrogen 2.911 N/A ASN 86.A N GLU 102.A OE2 no hydrogen 2.772 N/A ASN 86.A ND2 ASN 81.A O no hydrogen 2.957 N/A ASN 86.A ND2 GLU 102.A OE2 no hydrogen 2.872 N/A LEU 88.A N ILE 100.A O no hydrogen 2.768 N/A GLY 89.A N ILE 100.A O no hydrogen 3.130 N/A CYS 90.A N ARG 11.A O no hydrogen 3.238 N/A CYS 91.A N LEU 98.A O no hydrogen 2.940 N/A CYS 91.A SG PHE 13.A O no hydrogen 3.362 N/A TYR 92.A OH GLU 12.A OE1 no hydrogen 2.666 N/A GLU 96.A N GLU 93.A O no hydrogen 2.922 N/A ARG 97.A NE TRP 63.A O no hydrogen 2.732 N/A ARG 97.A NH1 GLU 96.A O no hydrogen 2.909 N/A ARG 97.A NH2 PRO 64.A O no hydrogen 2.896 N/A LEU 98.A N CYS 91.A O no hydrogen 2.915 N/A LEU 99.A N LYS 56.A O no hydrogen 2.970 N/A ILE 100.A N GLY 89.A O no hydrogen 2.857 N/A ALA 101.A N ALA 54.A O no hydrogen 2.847 N/A GLU 102.A N ASN 86.A O no hydrogen 3.015 N/A ASN 106.A N PHE 158.A O no hydrogen 3.028 N/A ASN 106.A ND2 ASP 159.A O no hydrogen 2.819 N/A LEU 109.A N VAL 156.A O no hydrogen 2.808 N/A ALA 110.A N ALA 153.A O no hydrogen 3.197 N/A LYS 111.A N THR 108.A OG1 no hydrogen 2.910 N/A LYS 111.A NZ HIS 115.A O no hydrogen 3.013 N/A LYS 111.A NZ GLU 117.A OE2 no hydrogen 2.746 N/A HIS 112.A N THR 108.A O no hydrogen 3.164 N/A HIS 112.A NE2 ASN 106.A O no hydrogen 2.717 N/A LEU 113.A N LEU 109.A O no hydrogen 2.735 N/A PHE 114.A N ALA 110.A O no hydrogen 2.879 N/A HIS 115.A N LYS 111.A O no hydrogen 2.908 N/A TRP 123.A N GLN 245.A OE1 no hydrogen 2.897 N/A TRP 123.A NE1 ASP 250.A OD2 no hydrogen 2.960 N/A ARG 126.A N LYS 122.A O no hydrogen 2.966 N/A ARG 126.A NE MET 121.A O no hydrogen 2.967 N/A ARG 126.A NH1 LEU 214.A O no hydrogen 2.764 N/A ARG 126.A NH1 ASP 239.A OD2 no hydrogen 2.789 N/A ARG 126.A NH2 MET 121.A O no hydrogen 2.883 N/A ARG 126.A NH2 ASP 239.A OD2 no hydrogen 3.003 N/A LEU 127.A N TRP 123.A O no hydrogen 2.977 N/A ARG 128.A N ALA 124.A O no hydrogen 3.051 N/A ARG 128.A NH1 ILE 288.A O no hydrogen 3.019 N/A ARG 128.A NH1 SER 290.A OG no hydrogen 2.848 N/A ARG 128.A NH2 ILE 288.A O no hydrogen 2.864 N/A VAL 129.A N MET 125.A O no hydrogen 2.877 N/A ALA 130.A N ARG 126.A O no hydrogen 3.076 N/A LEU 131.A N LEU 127.A O no hydrogen 3.019 N/A HIS 132.A N ARG 128.A O no hydrogen 2.840 N/A HIS 132.A ND1 PRO 164.A O no hydrogen 2.942 N/A ILE 133.A N VAL 129.A O no hydrogen 2.930 N/A ALA 134.A N ALA 130.A O no hydrogen 2.979 N/A GLN 135.A N LEU 131.A O no hydrogen 2.870 N/A ALA 136.A N HIS 132.A O no hydrogen 2.882 N/A LEU 137.A N ILE 133.A O no hydrogen 2.987 N/A GLU 138.A N ALA 134.A O no hydrogen 2.920 N/A TYR 139.A N GLN 135.A O no hydrogen 3.001 N/A CYS 140.A N ALA 136.A O no hydrogen 2.900 N/A CYS 140.A SG ALA 136.A O no hydrogen 3.329 N/A THR 141.A N LEU 137.A O no hydrogen 2.992 N/A THR 141.A OG1 LEU 137.A O no hydrogen 3.083 N/A SER 142.A N GLU 138.A O no hydrogen 3.003 N/A SER 142.A OG TYR 139.A O no hydrogen 2.698 N/A LYS 143.A N TYR 139.A O no hydrogen 3.163 N/A LYS 143.A N CYS 140.A O no hydrogen 3.084 N/A GLY 144.A N THR 141.A O no hydrogen 3.039 N/A ARG 145.A N CYS 140.A O no hydrogen 2.979 N/A ARG 145.A NH1 GLU 72.A OE1 no hydrogen 3.000 N/A ARG 145.A NH2 GLU 72.A OE1 no hydrogen 3.513 N/A ARG 145.A NH2 GLU 72.A OE2 no hydrogen 2.805 N/A ARG 145.A NH2 LEU 171.A O no hydrogen 2.898 N/A TYR 148.A OH SER 167.A O no hydrogen 2.690 N/A HIS 149.A N GLY 170.A O no hydrogen 2.859 N/A HIS 149.A ND1 SER 180.A OG.A no hydrogen 2.576 N/A HIS 149.A ND1 SER 180.A OG.B no hydrogen 3.125 N/A ASP 150.A N TYR 148.A O no hydrogen 3.257 N/A ASN 152.A ND2 ASP 150.A OD1 no hydrogen 3.039 N/A TYR 154.A N ASN 152.A OD1 no hydrogen 2.909 N/A ARG 155.A N ASN 152.A O no hydrogen 2.947 N/A ARG 155.A NE ASP 150.A O no hydrogen 2.946 N/A ARG 155.A NH2 HIS 149.A O no hydrogen 2.762 N/A LEU 157.A N ARG 165.A O no hydrogen 2.828 N/A PHE 158.A N GLU 107.A O no hydrogen 2.958 N/A ASP 159.A N ASN 163.A O no hydrogen 2.980 N/A ASP 161.A N ASP 159.A OD1 no hydrogen 2.815 N/A ALA 162.A N ASP 159.A O no hydrogen 2.938 N/A ASN 163.A N ASP 159.A OD1 no hydrogen 2.936 N/A ARG 165.A N LEU 157.A O no hydrogen 2.677 N/A ARG 165.A NE ASP 159.A OD2 no hydrogen 2.886 N/A ARG 165.A NH1 MET 84.A O no hydrogen 2.902 N/A ARG 165.A NH2 ASP 159.A OD2 no hydrogen 3.148 N/A LEU 166.A N ARG 83.A O no hydrogen 2.778 N/A SER 167.A N ARG 155.A O no hydrogen 2.890 N/A CYS 168.A N ALA 85.A O no hydrogen 3.209 N/A CYS 168.A SG ALA 85.A O no hydrogen 3.135 N/A PHE 169.A N SER 167.A OG no hydrogen 3.176 N/A LEU 171.A N CYS 168.A O no hydrogen 2.920 N/A MET 172.A N PHE 169.A O no hydrogen 3.202 N/A LYS 173.A NZ ARG 176.A O no hydrogen 3.009 N/A LYS 173.A NZ GLY 178.A O no hydrogen 2.572 N/A ASN 174.A ND2 SER 182.A OG.A no hydrogen 3.055 N/A ARG 176.A N SER 62.A O no hydrogen 2.830 N/A ARG 176.A NE ASP 177.A OD1 no hydrogen 3.378 N/A ARG 176.A NE ASP 177.A OD2 no hydrogen 3.094 N/A ARG 176.A NH2 ASP 177.A OD1 no hydrogen 2.856 N/A GLY 178.A N SER 175.A O no hydrogen 3.349 N/A LYS 179.A NZ TYR 192.A OH no hydrogen 2.844 N/A SER 180.A OG.A HIS 149.A ND1 no hydrogen 2.576 N/A SER 180.A OG.B HIS 149.A ND1 no hydrogen 3.125 N/A TYR 181.A N TYR 192.A OH no hydrogen 3.336 N/A TYR 181.A OH SER 206.A OG no hydrogen 2.730 N/A THR 183.A OG1 ASP 150.A OD2 no hydrogen 2.560 N/A PHE 187.A N ASN 184.A O no hydrogen 3.032 N/A THR 188.A N LEU 185.A O no hydrogen 3.199 N/A THR 188.A OG1 LEU 185.A O no hydrogen 2.777 N/A GLU 191.A N GLU 191.A OE1 no hydrogen 2.757 N/A TYR 192.A N PRO 189.A O no hydrogen 2.955 N/A TYR 192.A OH TYR 181.A O no hydrogen 3.328 N/A THR 195.A N GLU 191.A O no hydrogen 3.036 N/A THR 195.A OG1 GLU 191.A O no hydrogen 2.753 N/A GLY 196.A N TYR 192.A O no hydrogen 2.557 N/A ARG 197.A N THR 195.A OG1 no hydrogen 3.172 N/A THR 199.A N SER 202.A OG no hydrogen 3.032 N/A THR 199.A OG1 GLU 201.A OE1 no hydrogen 3.165 N/A THR 199.A OG1 SER 202.A OG no hydrogen 3.306 N/A GLU 201.A N THR 199.A OG1 no hydrogen 3.085 N/A SER 202.A N THR 199.A O no hydrogen 3.001 N/A SER 202.A N THR 199.A OG1 no hydrogen 3.333 N/A SER 202.A OG THR 199.A O no hydrogen 3.104 N/A SER 202.A OG THR 199.A OG1 no hydrogen 3.306 N/A TYR 205.A N GLU 201.A O no hydrogen 3.303 N/A SER 206.A N SER 202.A O no hydrogen 2.996 N/A SER 206.A OG TYR 181.A OH no hydrogen 2.730 N/A SER 206.A OG SER 202.A O no hydrogen 3.526 N/A PHE 207.A N VAL 203.A O no hydrogen 2.824 N/A GLY 208.A N ILE 204.A O no hydrogen 3.062 N/A THR 209.A N TYR 205.A O no hydrogen 3.087 N/A THR 209.A OG1 SER 206.A O no hydrogen 2.614 N/A LEU 210.A N SER 206.A O no hydrogen 2.965 N/A LEU 211.A N PHE 207.A O no hydrogen 2.878 N/A LEU 212.A N GLY 208.A O no hydrogen 2.989 N/A ASP 213.A N THR 209.A O no hydrogen 2.948 N/A LEU 214.A N LEU 210.A O no hydrogen 2.965 N/A LEU 215.A N LEU 211.A O no hydrogen 2.759 N/A SER 216.A N LEU 212.A O no hydrogen 2.966 N/A SER 216.A OG LEU 212.A O no hydrogen 2.871 N/A GLY 217.A N ASP 213.A O no hydrogen 2.802 N/A LYS 218.A N SER 216.A OG no hydrogen 3.200 N/A ALA 225.A N PRO 221.A O no hydrogen 3.025 N/A LEU 226.A N PRO 222.A O no hydrogen 2.721 N/A ASP 227.A N SER 223.A O no hydrogen 3.000 N/A LEU 228.A N HIS 224.A O no hydrogen 3.097 N/A ILE 229.A N ALA 225.A O no hydrogen 2.869 N/A ARG 230.A N LEU 226.A O no hydrogen 2.808 N/A ARG 230.A NE ASP 231.A OD1 no hydrogen 2.919 N/A ARG 230.A NH2 ASP 231.A OD1 no hydrogen 3.312 N/A ARG 230.A NH2 ASP 231.A OD2 no hydrogen 3.075 N/A ASP 231.A N ASP 227.A O no hydrogen 2.909 N/A ARG 232.A N ILE 229.A O no hydrogen 3.023 N/A ASN 233.A N LEU 228.A O no hydrogen 2.814 N/A MET 236.A N ASN 233.A O no hydrogen 3.318 N/A MET 236.A N ASN 233.A OD1 no hydrogen 3.312 N/A LEU 237.A N ILE 234.A O no hydrogen 2.781 N/A MET 238.A N ILE 234.A O no hydrogen 2.888 N/A ASP 239.A N LEU 215.A O no hydrogen 2.914 N/A GLY 241.A N ASP 239.A OD1 no hydrogen 2.970 N/A LEU 242.A N ASP 239.A O no hydrogen 3.027 N/A GLU 243.A N SER 240.A O no hydrogen 3.355 N/A GLN 245.A N LEU 242.A O no hydrogen 2.905 N/A SER 247.A OG ASP 250.A OD1 no hydrogen 3.439 N/A SER 248.A OG ASP 249.A OD1 no hydrogen 3.373 N/A GLY 251.A N SER 247.A O no hydrogen 2.958 N/A THR 252.A N SER 248.A O no hydrogen 2.761 N/A THR 252.A OG1 SER 248.A O no hydrogen 2.515 N/A GLU 253.A N ASP 249.A O no hydrogen 2.890 N/A LEU 254.A N ASP 250.A O no hydrogen 3.106 N/A ILE 255.A N GLY 251.A O no hydrogen 3.035 N/A ARG 256.A N THR 252.A O no hydrogen 2.879 N/A LEU 257.A N GLU 253.A O no hydrogen 3.097 N/A ALA 258.A N LEU 254.A O no hydrogen 2.970 N/A SER 259.A N ILE 255.A O no hydrogen 2.875 N/A SER 259.A OG ILE 255.A O no hydrogen 3.557 N/A ARG 260.A N ARG 256.A O no hydrogen 3.210 N/A CYS 261.A N LEU 257.A O no hydrogen 3.114 N/A CYS 261.A SG LEU 257.A O no hydrogen 3.395 N/A LEU 262.A N ALA 258.A O no hydrogen 2.956 N/A GLN 263.A N ARG 260.A O no hydrogen 3.381 N/A GLU 268.A N GLU 265.A O no hydrogen 3.035 N/A ARG 269.A N PRO 266.A O no hydrogen 3.170 N/A ARG 269.A NE GLN 263.A O no hydrogen 2.856 N/A ARG 269.A NH1 GLU 191.A OE2 no hydrogen 2.823 N/A ARG 269.A NH1 GLU 201.A O no hydrogen 3.062 N/A ARG 269.A NH2 GLU 191.A OE1 no hydrogen 2.912 N/A ARG 269.A NH2 GLN 263.A O no hydrogen 3.057 N/A SER 274.A N ASN 271.A OD1 no hydrogen 2.959 N/A SER 274.A OG.A ASN 271.A OD1 no hydrogen 3.017 N/A LEU 275.A N ASN 271.A O no hydrogen 3.030 N/A VAL 276.A N PRO 272.A O no hydrogen 2.983 N/A SER 277.A N LYS 273.A O no hydrogen 3.088 N/A SER 277.A OG LYS 273.A O no hydrogen 3.289 N/A ALA 278.A N SER 274.A O no hydrogen 2.961 N/A MET 279.A N LEU 275.A O no hydrogen 2.980 N/A ILE 280.A N VAL 276.A O no hydrogen 2.998 N/A LEU 282.A N MET 279.A O no hydrogen 3.035 N/A GLN 283.A N ILE 280.A O no hydrogen 3.275 N/A GLN 283.A NE2 LEU 127.A O no hydrogen 3.023 N/A GLN 283.A NE2 MET 279.A O no hydrogen 2.882 N/A LYS 284.A NZ ASP 250.A OD2 no hydrogen 2.587 N/A LYS 284.A NZ LEU 282.A O no hydrogen 2.678 N/A GLU 287.A N GLU 287.A OE1 no hydrogen 2.790 N/A ILE 288.A N ASP 285.A O no hydrogen 2.970 N/A SER 290.A OG ASN 163.A OD1 no hydrogen 2.711 N/A LEU 293.A N ALA 289.A O no hydrogen 2.851 N/A LEU 294.A N SER 290.A O no hydrogen 2.681 N/A GLY 295.A N HIS 291.A O no hydrogen 2.932 N/A VAL 296.A N HIS 291.A O no hydrogen 2.830 N/A