Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k3i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 PRO 88.A O no hydrogen 2.364 N/A TYR 5.A N VAL 16.A O no hydrogen 2.920 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.658 N/A GLN 7.A N TRP 14.A O no hydrogen 2.909 N/A LEU 9.A N THR 12.A O no hydrogen 2.781 N/A THR 12.A N LEU 9.A O no hydrogen 2.921 N/A THR 12.A OG1 ASN 10.A O no hydrogen 3.504 N/A TRP 14.A N GLN 7.A O no hydrogen 2.734 N/A GLU 15.A N TYR 99.A OH no hydrogen 2.989 N/A VAL 16.A N TYR 5.A O no hydrogen 3.060 N/A GLU 18.A N THR 3.A O no hydrogen 2.797 N/A ARG 19.A NH1 ASP 39.A OD1 no hydrogen 3.117 N/A ARG 19.A NH1 ASP 39.A OD2 no hydrogen 2.777 N/A TYR 20.A N PRO 17.A O no hydrogen 3.030 N/A TYR 20.A OH ASP 84.A OD2 no hydrogen 2.620 N/A GLN 21.A N PHE 38.A O no hydrogen 2.872 N/A GLN 21.A NE2 GLU 18.A O no hydrogen 2.536 N/A SER 24.A N ALA 36.A O no hydrogen 2.941 N/A VAL 26.A N VAL 34.A O no hydrogen 2.951 N/A GLY 29.A N GLY 32.A O no hydrogen 2.748 N/A SER 33.A N LYS 50.A O no hydrogen 3.171 N/A VAL 34.A N GLY 27.A O no hydrogen 2.729 N/A CYS 35.A N VAL 48.A O no hydrogen 2.806 N/A ALA 36.A N SER 24.A O no hydrogen 2.838 N/A ALA 37.A N VAL 46.A O no hydrogen 2.900 N/A PHE 38.A N GLN 21.A O no hydrogen 2.792 N/A ASP 39.A N LEU 44.A O no hydrogen 2.819 N/A THR 40.A N ARG 19.A O no hydrogen 2.932 N/A THR 40.A OG1 ARG 19.A O no hydrogen 2.848 N/A LYS 41.A N ASP 39.A OD1 no hydrogen 2.999 N/A THR 42.A N ASP 39.A O no hydrogen 3.220 N/A THR 42.A OG1 ASP 39.A O no hydrogen 3.481 N/A THR 42.A OG1 ASP 39.A OD2 no hydrogen 2.774 N/A GLY 43.A N ASP 39.A O no hydrogen 2.720 N/A LEU 44.A N THR 42.A OG1 no hydrogen 3.185 N/A VAL 46.A N ALA 37.A O no hydrogen 2.851 N/A ALA 47.A N THR 102.A O no hydrogen 2.783 N/A VAL 48.A N CYS 35.A O no hydrogen 2.699 N/A LYS 49.A N LEU 100.A O no hydrogen 2.800 N/A LYS 49.A NZ GLU 67.A OE1 no hydrogen 2.630 N/A LYS 50.A N SER 33.A O no hydrogen 2.919 N/A LYS 50.A NZ ILE 13.A O no hydrogen 2.868 N/A LEU 51.A N VAL 98.A O no hydrogen 3.032 N/A SER 52.A N TYR 31.A O no hydrogen 2.994 N/A SER 52.A OG ALA 30.A O no hydrogen 2.892 N/A GLN 56.A N ARG 53.A O no hydrogen 3.333 N/A HIS 60.A N SER 57.A OG no hydrogen 2.939 N/A HIS 60.A ND1 ARG 53.A O no hydrogen 2.757 N/A ALA 61.A N SER 57.A O no hydrogen 2.889 N/A LYS 62.A N ILE 58.A O no hydrogen 2.920 N/A LYS 62.A NZ GLU 308.A O no hydrogen 2.760 N/A LYS 62.A NZ ARG 310.A O no hydrogen 3.153 N/A ARG 63.A N ILE 59.A O no hydrogen 2.983 N/A THR 64.A N HIS 60.A O no hydrogen 2.856 N/A THR 64.A OG1 PRO 54.A O no hydrogen 2.834 N/A THR 64.A OG1 HIS 60.A O no hydrogen 2.992 N/A TYR 65.A N ALA 61.A O no hydrogen 3.035 N/A ARG 66.A N LYS 62.A O no hydrogen 2.850 N/A ARG 66.A NE GLU 308.A OE1 no hydrogen 2.770 N/A ARG 66.A NH2 GLU 308.A OE2 no hydrogen 2.812 N/A GLU 67.A N ARG 63.A O no hydrogen 2.899 N/A LEU 68.A N THR 64.A O no hydrogen 3.049 N/A ARG 69.A N TYR 65.A O no hydrogen 2.859 N/A ARG 69.A NH1 TYR 65.A OH no hydrogen 2.898 N/A ARG 69.A NH2 ASP 304.A O no hydrogen 2.961 N/A LEU 70.A N ARG 66.A O no hydrogen 2.984 N/A LEU 71.A N GLU 67.A O no hydrogen 2.911 N/A LYS 72.A N LEU 68.A O no hydrogen 2.855 N/A LYS 72.A NZ GLU 324.A O no hydrogen 2.882 N/A LYS 72.A NZ GLU 324.A OE1 no hydrogen 2.723 N/A HIS 73.A N ARG 69.A O no hydrogen 3.181 N/A HIS 73.A N LEU 70.A O no hydrogen 2.947 N/A HIS 73.A NE2 ASP 301.A O no hydrogen 2.741 N/A MET 74.A N LEU 70.A O no hydrogen 3.269 N/A MET 74.A N LEU 71.A O no hydrogen 3.324 N/A LYS 75.A N TYR 132.A OH no hydrogen 2.918 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 2.936 N/A ASN 78.A ND2 LEU 156.A O no hydrogen 3.095 N/A VAL 79.A N HIS 76.A O no hydrogen 3.163 N/A ILE 80.A N ILE 158.A O no hydrogen 2.898 N/A LEU 83.A N VAL 101.A O no hydrogen 2.816 N/A ASP 84.A N VAL 101.A O no hydrogen 3.400 N/A PHE 86.A N TYR 99.A O no hydrogen 2.973 N/A THR 87.A OG1 ASP 97.A O no hydrogen 2.804 N/A ALA 89.A N THR 87.A OG1 no hydrogen 3.174 N/A ARG 90.A N GLU 94.A OE1 no hydrogen 2.630 N/A GLU 93.A N GLU 93.A OE1 no hydrogen 2.837 N/A GLU 94.A N SER 91.A O no hydrogen 3.273 N/A PHE 95.A N LEU 92.A O no hydrogen 3.058 N/A TYR 99.A N PHE 86.A O no hydrogen 2.892 N/A LEU 100.A N LYS 49.A O no hydrogen 2.940 N/A VAL 101.A N ASP 84.A O no hydrogen 2.835 N/A THR 102.A N ALA 47.A O no hydrogen 3.006 N/A THR 102.A OG1.B GLY 81.A O no hydrogen 2.648 N/A LEU 104.A N ARG 45.A O no hydrogen 2.989 N/A ALA 107.A N VAL 150.A O no hydrogen 3.076 N/A LEU 109.A N PRO 145.A O no hydrogen 3.183 N/A LEU 109.A N LEU 148.A O no hydrogen 3.031 N/A ASN 111.A N ASP 108.A OD2 no hydrogen 3.053 N/A ILE 112.A N ASP 108.A O no hydrogen 3.374 N/A LEU 114.A N LEU 196.A O no hydrogen 2.972 N/A HIS 118.A N THR 115.A OG1 no hydrogen 3.241 N/A VAL 119.A N THR 115.A O no hydrogen 2.942 N/A GLN 120.A N ASP 116.A O no hydrogen 2.842 N/A GLN 120.A NE2 ASP 116.A OD2 no hydrogen 2.976 N/A PHE 121.A N ASP 117.A O no hydrogen 3.231 N/A LEU 122.A N HIS 118.A O no hydrogen 2.931 N/A ILE 123.A N VAL 119.A O no hydrogen 2.854 N/A TYR 124.A N GLN 120.A O no hydrogen 2.893 N/A TYR 124.A OH GLU 297.A OE2 no hydrogen 2.649 N/A GLN 125.A N PHE 121.A O no hydrogen 3.194 N/A GLN 125.A NE2 PHE 121.A O no hydrogen 3.106 N/A GLN 125.A NE2 CYS 154.A O no hydrogen 2.875 N/A ILE 126.A N LEU 122.A O no hydrogen 3.049 N/A LEU 127.A N ILE 123.A O no hydrogen 2.873 N/A ARG 128.A N TYR 124.A O no hydrogen 2.821 N/A ARG 128.A NE ASP 296.A O no hydrogen 2.773 N/A ARG 128.A NH1 GLU 77.A OE1 no hydrogen 3.400 N/A ARG 128.A NH1 ASP 296.A O no hydrogen 3.005 N/A ARG 128.A NH2 GLU 77.A OE1 no hydrogen 2.992 N/A ARG 128.A NH2 ASN 78.A OD1 no hydrogen 2.846 N/A GLY 129.A N GLN 125.A O no hydrogen 2.936 N/A LEU 130.A N ILE 126.A O no hydrogen 2.789 N/A LYS 131.A N LEU 127.A O no hydrogen 2.739 N/A LYS 131.A NZ GLU 297.A O no hydrogen 2.651 N/A TYR 132.A N ARG 128.A O no hydrogen 3.393 N/A TYR 132.A OH HIS 73.A O no hydrogen 3.261 N/A ILE 133.A N GLY 129.A O no hydrogen 2.889 N/A HIS 134.A N LEU 130.A O no hydrogen 2.818 N/A HIS 134.A NE2 ASP 185.A OD2 no hydrogen 2.767 N/A SER 135.A N LYS 131.A O no hydrogen 2.933 N/A SER 135.A OG LYS 131.A O no hydrogen 3.465 N/A SER 135.A OG TYR 132.A O no hydrogen 2.665 N/A ALA 136.A N ILE 133.A O no hydrogen 3.107 N/A ASP 137.A N HIS 134.A O no hydrogen 2.880 N/A ILE 138.A N ILE 133.A O no hydrogen 3.338 N/A HIS 140.A N ASP 185.A OD2 no hydrogen 2.859 N/A HIS 140.A NE2 LEU 159.A O no hydrogen 2.740 N/A ARG 141.A N ASP 185.A OD1 no hydrogen 2.887 N/A ARG 141.A NE TYR 180.A OH no hydrogen 2.716 N/A ASP 142.A N HIS 140.A ND1 no hydrogen 2.985 N/A LYS 144.A NZ THR 165.A OG1 no hydrogen 2.703 N/A ASN 147.A N LYS 144.A O no hydrogen 2.867 N/A ASN 147.A ND2 ASP 142.A O no hydrogen 2.732 N/A LEU 148.A N PRO 145.A O no hydrogen 3.054 N/A ALA 149.A N LYS 157.A O no hydrogen 2.886 N/A VAL 150.A N ALA 107.A O no hydrogen 2.774 N/A ASN 151.A N GLU 155.A O no hydrogen 3.001 N/A ASN 151.A ND2 GLU 155.A OE2 no hydrogen 2.888 N/A CYS 154.A N ASN 151.A O no hydrogen 2.905 N/A CYS 154.A SG HIS 118.A NE2 no hydrogen 3.574 N/A GLU 155.A N ASN 151.A OD1 no hydrogen 2.993 N/A LEU 156.A N GLN 125.A OE1 no hydrogen 2.872 N/A LYS 157.A N ALA 149.A O no hydrogen 2.872 N/A LYS 157.A NZ GLU 77.A O no hydrogen 2.858 N/A ILE 158.A N ASN 78.A O no hydrogen 2.866 N/A LEU 159.A N ASN 147.A O no hydrogen 3.030 N/A PHE 161.A N ASN 147.A OD1 no hydrogen 2.851 N/A GLY 162.A N ASP 160.A OD1 no hydrogen 3.109 N/A THR 165.A OG1 ASP 142.A OD1.A no hydrogen 2.936 N/A THR 165.A OG1 ASP 142.A OD2.A no hydrogen 3.220 N/A ARG 166.A NE GLY 205.A O no hydrogen 2.737 N/A ARG 166.A NH2 GLY 205.A O no hydrogen 3.230 N/A TRP 167.A N ALA 164.A O no hydrogen 3.091 N/A TRP 167.A NE1 GLY 205.A O no hydrogen 2.953 N/A TYR 168.A N THR 165.A O no hydrogen 3.013 N/A TYR 168.A OH GLU 195.A OE1 no hydrogen 2.620 N/A ARG 169.A N ARG 166.A O no hydrogen 3.096 N/A ARG 169.A NE ARG 141.A O no hydrogen 3.171 N/A ARG 169.A NH1 ARG 141.A O no hydrogen 2.882 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.708 N/A ILE 173.A N ALA 170.A O no hydrogen 3.012 N/A MET 174.A N ALA 170.A O no hydrogen 3.239 N/A LEU 175.A N PRO 171.A O no hydrogen 2.961 N/A ASN 176.A N ILE 173.A O no hydrogen 2.932 N/A TRP 177.A N GLU 172.A O no hydrogen 2.959 N/A ASN 181.A ND2 SER 273.A OG no hydrogen 3.005 N/A GLN 182.A NE2 HIS 134.A O no hydrogen 2.919 N/A GLN 182.A NE2 ILE 138.A O no hydrogen 3.488 N/A THR 183.A N ASN 181.A OD1 no hydrogen 2.768 N/A THR 183.A OG1 ASN 181.A OD1 no hydrogen 2.674 N/A THR 183.A OG1 SER 273.A O no hydrogen 3.226 N/A VAL 184.A N ASN 181.A O no hydrogen 3.123 N/A ASP 185.A N GLN 182.A O no hydrogen 2.994 N/A TRP 187.A N THR 183.A O no hydrogen 2.926 N/A SER 188.A N VAL 184.A O no hydrogen 3.259 N/A SER 188.A OG TYR 168.A O no hydrogen 2.819 N/A SER 188.A OG VAL 184.A O no hydrogen 3.221 N/A VAL 189.A N ASP 185.A O no hydrogen 2.991 N/A GLY 190.A N ILE 186.A O no hydrogen 2.997 N/A CYS 191.A N TRP 187.A O no hydrogen 3.000 N/A CYS 191.A SG TRP 167.A O no hydrogen 4.036 N/A CYS 191.A SG TRP 187.A O no hydrogen 3.542 N/A ILE 192.A N SER 188.A O no hydrogen 2.851 N/A MET 193.A N VAL 189.A O no hydrogen 2.775 N/A ALA 194.A N GLY 190.A O no hydrogen 2.911 N/A GLU 195.A N CYS 191.A O no hydrogen 3.111 N/A LEU 196.A N ILE 192.A O no hydrogen 2.913 N/A LEU 197.A N MET 193.A O no hydrogen 3.054 N/A THR 198.A N ALA 194.A O no hydrogen 2.903 N/A THR 198.A OG1 ALA 194.A O no hydrogen 3.100 N/A GLY 199.A N GLU 195.A O no hydrogen 2.786 N/A ARG 200.A N THR 198.A OG1 no hydrogen 3.097 N/A GLY 205.A N PHE 203.A O no hydrogen 2.851 N/A GLY 205.A N GLN 211.A OE1 no hydrogen 2.914 N/A THR 206.A N ASP 210.A OD2 no hydrogen 2.803 N/A THR 206.A OG1 ASP 207.A OD1 no hydrogen 3.527 N/A ASP 210.A N ASP 207.A OD2 no hydrogen 2.872 N/A GLN 211.A N ASP 207.A O no hydrogen 2.879 N/A GLN 211.A NE2 TRP 167.A O no hydrogen 3.438 N/A GLN 211.A NE2 PHE 203.A O no hydrogen 2.871 N/A LEU 212.A N HIS 208.A O no hydrogen 2.978 N/A LYS 213.A N ILE 209.A O no hydrogen 2.905 N/A LEU 214.A N ASP 210.A O no hydrogen 2.889 N/A ILE 215.A N GLN 211.A O no hydrogen 3.020 N/A LEU 216.A N LEU 212.A O no hydrogen 2.910 N/A ARG 217.A N LYS 213.A O no hydrogen 3.059 N/A LEU 218.A N ILE 215.A O no hydrogen 3.030 N/A VAL 219.A N ILE 215.A O no hydrogen 2.995 N/A GLY 220.A N LEU 216.A O no hydrogen 2.741 N/A THR 221.A N MET 245.A O no hydrogen 2.979 N/A THR 221.A OG1 MET 245.A O no hydrogen 3.349 N/A LEU 227.A N GLY 223.A O no hydrogen 2.949 N/A LYS 228.A N ALA 224.A O no hydrogen 3.121 N/A LYS 229.A N LEU 226.A O no hydrogen 2.939 N/A LYS 229.A NZ ASP 272.A OD1 no hydrogen 3.312 N/A LYS 229.A NZ ASP 272.A OD2 no hydrogen 2.679 N/A LYS 229.A NZ ASP 274.A OD2 no hydrogen 2.799 N/A ILE 230.A N LEU 227.A O no hydrogen 3.223 N/A ALA 235.A N SER 232.A OG no hydrogen 2.996 N/A ARG 236.A N SER 232.A O no hydrogen 2.927 N/A ARG 236.A NE ILE 230.A O no hydrogen 2.921 N/A ARG 236.A NH1 SER 231.A O no hydrogen 3.471 N/A ARG 236.A NH1 GLU 233.A OE2 no hydrogen 2.694 N/A ARG 236.A NH2 GLU 233.A OE2 no hydrogen 2.706 N/A ASN 237.A N GLU 233.A O no hydrogen 2.850 N/A TYR 238.A N SER 234.A O no hydrogen 2.991 N/A ILE 239.A N ALA 235.A O no hydrogen 2.815 N/A GLN 240.A N ARG 236.A O no hydrogen 2.842 N/A SER 241.A N ASN 237.A O no hydrogen 3.096 N/A SER 241.A N TYR 238.A O no hydrogen 3.156 N/A SER 241.A OG ASN 237.A O no hydrogen 2.553 N/A LEU 242.A N ILE 239.A O no hydrogen 3.171 N/A MET 245.A N THR 221.A OG1 no hydrogen 3.067 N/A LYS 247.A NZ MET 248.A O no hydrogen 2.930 N/A LYS 247.A NZ GLU 266.A OE2 no hydrogen 3.092 N/A MET 248.A N LEU 218.A O no hydrogen 2.905 N/A ALA 251.A N ASN 249.A OD1 no hydrogen 3.225 N/A ASN 252.A N ASN 249.A O no hydrogen 3.096 N/A VAL 253.A N ASN 249.A O no hydrogen 3.307 N/A PHE 254.A N PHE 250.A O no hydrogen 2.773 N/A ASN 258.A ND2 ASP 116.A OD2 no hydrogen 2.980 N/A LEU 260.A N ASN 258.A OD1 no hydrogen 2.927 N/A VAL 262.A N ASN 258.A O no hydrogen 3.066 N/A ASP 263.A N PRO 259.A O no hydrogen 2.945 N/A LEU 264.A N LEU 260.A O no hydrogen 2.999 N/A LEU 265.A N ALA 261.A O no hydrogen 2.860 N/A GLU 266.A N VAL 262.A O no hydrogen 2.968 N/A LYS 267.A N ASP 263.A O no hydrogen 3.136 N/A LYS 267.A NZ ASP 263.A OD1 no hydrogen 3.196 N/A LYS 267.A NZ ASP 263.A OD2 no hydrogen 3.128 N/A MET 268.A N LEU 264.A O no hydrogen 2.945 N/A MET 268.A N LEU 265.A O no hydrogen 3.219 N/A LEU 269.A N LEU 265.A O no hydrogen 2.912 N/A ASP 274.A N ASP 272.A OD1 no hydrogen 2.975 N/A LYS 275.A N ASP 272.A O no hydrogen 2.868 N/A LYS 275.A NZ GLU 225.A OE1 no hydrogen 3.453 N/A ARG 276.A N SER 273.A O no hydrogen 3.361 N/A ARG 276.A NE VAL 270.A O no hydrogen 2.866 N/A ARG 276.A NH1 GLU 172.A OE1 no hydrogen 2.850 N/A ARG 276.A NH1 LEU 271.A O no hydrogen 2.819 N/A ARG 276.A NH2 GLU 172.A OE2 no hydrogen 2.718 N/A ARG 276.A NH2 THR 183.A O no hydrogen 3.351 N/A ILE 277.A N LYS 267.A O no hydrogen 2.936 N/A THR 278.A N GLN 281.A OE1 no hydrogen 3.019 N/A GLN 281.A N THR 278.A OG1 no hydrogen 3.058 N/A ALA 282.A N THR 278.A O no hydrogen 2.890 N/A LEU 283.A N ALA 279.A O no hydrogen 3.097 N/A ALA 284.A N GLN 281.A O no hydrogen 3.073 N/A HIS 285.A N ALA 282.A O no hydrogen 3.010 N/A HIS 285.A NE2 ASP 263.A OD2 no hydrogen 2.683 N/A TYR 287.A N HIS 285.A ND1 no hydrogen 2.953 N/A TYR 287.A OH ASP 116.A OD1 no hydrogen 2.702 N/A PHE 288.A N HIS 285.A O no hydrogen 2.945 N/A ALA 289.A N ALA 286.A O no hydrogen 3.139 N/A TYR 291.A N PHE 288.A O no hydrogen 2.962 N/A HIS 292.A N PHE 288.A O no hydrogen 2.805 N/A HIS 292.A ND1 GLU 297.A OE2 no hydrogen 2.743 N/A ASP 293.A N GLU 297.A OE2 no hydrogen 3.161 N/A ASP 295.A N ASP 293.A OD1 no hydrogen 3.018 N/A ASP 296.A N ASP 293.A O no hydrogen 2.815 N/A ALA 300.A N SER 135.A OG no hydrogen 2.768 N/A SER 306.A N ASP 304.A OD1 no hydrogen 2.929 N/A SER 306.A OG ASP 304.A OD1 no hydrogen 2.828 N/A SER 306.A OG ASP 304.A OD2 no hydrogen 3.390 N/A GLU 308.A N GLN 305.A O no hydrogen 2.964 N/A SER 309.A N SER 306.A O no hydrogen 3.067 N/A SER 309.A OG SER 306.A O no hydrogen 2.907 N/A ARG 310.A N PHE 307.A O no hydrogen 2.968 N/A ARG 310.A NH1 SER 306.A OG no hydrogen 3.269 N/A LEU 313.A N GLU 316.A OE1 no hydrogen 2.963 N/A GLU 316.A N LEU 313.A O no hydrogen 2.945 N/A TRP 317.A N LEU 313.A O no hydrogen 3.109 N/A LYS 318.A N ILE 314.A O no hydrogen 2.884 N/A LYS 318.A NZ PHE 95.A O no hydrogen 2.676 N/A SER 319.A N ASP 315.A O no hydrogen 2.910 N/A LEU 320.A N GLU 316.A O no hydrogen 2.957 N/A THR 321.A N TRP 317.A O no hydrogen 2.948 N/A THR 321.A OG1 TRP 317.A O no hydrogen 2.938 N/A TYR 322.A N LYS 318.A O no hydrogen 2.870 N/A ASP 323.A N SER 319.A O no hydrogen 2.917 N/A GLU 324.A N LEU 320.A O no hydrogen 3.139 N/A VAL 325.A N THR 321.A O no hydrogen 2.954 N/A ILE 326.A N TYR 322.A O no hydrogen 3.012 N/A SER 327.A N ASP 323.A O no hydrogen 3.016 N/A SER 327.A OG ASP 323.A O no hydrogen 3.089 N/A SER 327.A OG GLU 324.A O no hydrogen 3.448 N/A PHE 328.A N VAL 325.A O no hydrogen 3.314 N/A