Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u6j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N GLU 4.A OE2 no hydrogen 2.820 N/A CYS 3.A SG HIS 2.A ND1 no hydrogen 3.676 N/A GLU 4.A N GLU 4.A OE1 no hydrogen 2.824 N/A ARG 5.A N HIS 2.A O no hydrogen 3.249 N/A LEU 6.A N CYS 3.A O no hydrogen 3.076 N/A TYR 8.A OH GLU 14.A OE1 no hydrogen 2.769 N/A SER 11.A OG ASP 9.A OD1 no hydrogen 2.833 N/A LYS 12.A N ASP 9.A O no hydrogen 3.285 N/A TRP 13.A N ASP 9.A O no hydrogen 3.004 N/A GLU 14.A N ALA 10.A O no hydrogen 2.870 N/A PHE 15.A N ALA 88.A O no hydrogen 2.890 N/A ARG 17.A NE PRO 95.A O no hydrogen 3.086 N/A ARG 17.A NH1 LYS 91.A O no hydrogen 2.714 N/A ARG 17.A NH1 PRO 95.A O no hydrogen 2.907 N/A ARG 17.A NH2 LYS 91.A O no hydrogen 2.671 N/A ARG 19.A N PRO 16.A O no hydrogen 3.154 N/A LEU 20.A N ARG 17.A O no hydrogen 3.197 N/A LYS 21.A N ASP 38.A O no hydrogen 2.901 N/A GLY 23.A N GLU 36.A O no hydrogen 2.676 N/A LEU 26.A N VAL 34.A O no hydrogen 2.729 N/A GLY 27.A N VAL 34.A O no hydrogen 3.239 N/A GLY 29.A N GLY 32.A O no hydrogen 2.980 N/A GLY 32.A N LEU 183.A O no hydrogen 3.057 N/A GLN 33.A N MET 53.A O no hydrogen 2.811 N/A VAL 34.A N GLY 27.A O no hydrogen 2.941 N/A ILE 35.A N VAL 51.A O no hydrogen 2.801 N/A GLU 36.A N LYS 24.A O no hydrogen 2.860 N/A ALA 37.A N VAL 49.A O no hydrogen 3.042 N/A ASP 38.A N LYS 21.A O no hydrogen 2.989 N/A ALA 39.A N ARG 47.A O no hydrogen 2.799 N/A PHE 40.A N ARG 19.A O no hydrogen 3.038 N/A GLY 41.A N THR 45.A O no hydrogen 2.979 N/A CYS 46.A SG ALA 39.A O no hydrogen 3.970 N/A ARG 47.A N ALA 39.A O no hydrogen 2.866 N/A VAL 49.A N ALA 37.A O no hydrogen 2.716 N/A ALA 50.A N THR 100.A O no hydrogen 2.929 N/A VAL 51.A N ILE 35.A O no hydrogen 2.884 N/A LYS 52.A N VAL 98.A O no hydrogen 2.814 N/A LYS 52.A NZ GLU 69.A OE1 no hydrogen 2.867 N/A LYS 52.A NZ PHE 181.A O no hydrogen 2.706 N/A MET 53.A N GLN 33.A O no hydrogen 2.991 N/A LYS 55.A N PHE 31.A O no hydrogen 3.266 N/A LYS 55.A NZ GLY 29.A O no hydrogen 2.790 N/A THR 59.A N GLU 62.A OE1 no hydrogen 2.920 N/A THR 59.A OG1 SER 61.A OG no hydrogen 3.311 N/A SER 61.A OG THR 59.A OG1 no hydrogen 3.311 N/A GLU 62.A N THR 59.A OG1 no hydrogen 3.425 N/A HIS 63.A N THR 59.A O no hydrogen 2.988 N/A ARG 64.A N HIS 60.A O no hydrogen 2.846 N/A ALA 65.A N SER 61.A O no hydrogen 2.960 N/A LEU 66.A N GLU 62.A O no hydrogen 3.077 N/A MET 67.A N HIS 63.A O no hydrogen 3.097 N/A SER 68.A N ARG 64.A O no hydrogen 2.870 N/A GLU 69.A N ALA 65.A O no hydrogen 2.992 N/A LEU 70.A N LEU 66.A O no hydrogen 3.016 N/A LYS 71.A N MET 67.A O no hydrogen 3.089 N/A LYS 71.A NZ GLU 4.A O no hydrogen 2.795 N/A LYS 71.A NZ LEU 6.A O no hydrogen 2.567 N/A ILE 72.A N SER 68.A O no hydrogen 3.023 N/A LEU 73.A N GLU 69.A O no hydrogen 3.033 N/A ILE 74.A N LEU 70.A O no hydrogen 3.008 N/A HIS 75.A N LYS 71.A O no hydrogen 2.908 N/A HIS 75.A NE2 ARG 156.A O no hydrogen 2.945 N/A ILE 76.A N ILE 72.A O no hydrogen 2.939 N/A GLY 77.A N LEU 73.A O no hydrogen 3.179 N/A HIS 79.A N ASN 84.A OD1 no hydrogen 3.135 N/A ASN 81.A N HIS 79.A ND1 no hydrogen 3.066 N/A ASN 81.A ND2 GLN 145.A OE1 no hydrogen 3.109 N/A ASN 81.A ND2 VAL 176.A O no hydrogen 3.000 N/A VAL 82.A N HIS 79.A O no hydrogen 3.281 N/A VAL 83.A N ILE 178.A O no hydrogen 2.987 N/A ASN 84.A N GLU 101.A OE1 no hydrogen 2.847 N/A ASN 84.A ND2 HIS 79.A O no hydrogen 2.796 N/A LEU 86.A N ILE 99.A O no hydrogen 2.798 N/A GLY 87.A N ILE 99.A O no hydrogen 3.271 N/A ALA 88.A N TRP 13.A O no hydrogen 2.922 N/A CYS 89.A N MET 97.A O no hydrogen 2.814 N/A CYS 89.A SG PHE 15.A O no hydrogen 3.293 N/A THR 90.A N GLU 14.A OE2 no hydrogen 2.851 N/A THR 90.A OG1 GLU 14.A OE1 no hydrogen 2.750 N/A LYS 91.A N GLU 14.A OE2 no hydrogen 3.196 N/A MET 97.A N CYS 89.A O no hydrogen 3.040 N/A VAL 98.A N LYS 52.A O no hydrogen 2.836 N/A ILE 99.A N GLY 87.A O no hydrogen 2.905 N/A THR 100.A N ALA 50.A O no hydrogen 2.819 N/A GLU 101.A N ASN 84.A O no hydrogen 3.115 N/A PHE 105.A N LEU 170.A O no hydrogen 3.229 N/A GLY 106.A N CYS 103.A O no hydrogen 3.160 N/A ASN 107.A ND2 THR 110.A OG1 no hydrogen 2.881 N/A LEU 108.A N ILE 168.A O no hydrogen 2.754 N/A THR 110.A N ASN 107.A OD1 no hydrogen 2.998 N/A THR 110.A OG1 ASN 107.A OD1 no hydrogen 3.180 N/A TYR 111.A N ASN 107.A O no hydrogen 3.182 N/A LEU 112.A N LEU 108.A O no hydrogen 2.802 N/A ARG 113.A N SER 109.A O no hydrogen 3.053 N/A ARG 113.A NE GLY 236.A O no hydrogen 2.823 N/A ARG 113.A NH2 SER 109.A OG no hydrogen 2.789 N/A SER 114.A N THR 110.A O no hydrogen 3.155 N/A SER 114.A N TYR 111.A O no hydrogen 3.110 N/A SER 114.A OG TYR 111.A O no hydrogen 2.587 N/A LYS 115.A N LEU 112.A O no hydrogen 3.188 N/A LYS 115.A NZ GLU 118.A OE2 no hydrogen 2.861 N/A LYS 115.A NZ ASP 132.A O no hydrogen 2.685 N/A ARG 116.A NE LEU 235.A O no hydrogen 2.851 N/A ARG 116.A NH1 LEU 235.A O no hydrogen 3.172 N/A GLU 118.A N LYS 115.A O no hydrogen 2.860 N/A VAL 120.A N LEU 134.A O no hydrogen 3.097 N/A TYR 122.A OH ASN 301.A OD1 no hydrogen 2.627 N/A LYS 123.A NZ TYR 130.A O no hydrogen 3.430 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.661 N/A LEU 129.A N PRO 126.A O no hydrogen 3.442 N/A TYR 130.A N GLU 127.A O no hydrogen 2.813 N/A LYS 131.A N ASP 128.A O no hydrogen 3.354 N/A PHE 133.A N TYR 130.A O no hydrogen 2.967 N/A LEU 134.A N GLU 118.A O no hydrogen 2.828 N/A THR 135.A N HIS 138.A ND1 no hydrogen 3.173 N/A THR 135.A OG1 HIS 138.A ND1 no hydrogen 2.747 N/A LEU 136.A N PRO 121.A O no hydrogen 2.977 N/A HIS 138.A N THR 135.A OG1 no hydrogen 3.419 N/A HIS 138.A ND1 THR 135.A OG1 no hydrogen 2.747 N/A LEU 139.A N THR 135.A O no hydrogen 3.257 N/A ILE 140.A N LEU 136.A O no hydrogen 2.935 N/A CYS 141.A N GLU 137.A O no hydrogen 2.841 N/A TYR 142.A N HIS 138.A O no hydrogen 2.888 N/A SER 143.A N LEU 139.A O no hydrogen 3.050 N/A SER 143.A OG LEU 139.A O no hydrogen 2.895 N/A PHE 144.A N ILE 140.A O no hydrogen 2.890 N/A GLN 145.A N CYS 141.A O no hydrogen 2.987 N/A GLN 145.A NE2 CYS 141.A O no hydrogen 3.426 N/A GLN 145.A NE2 ASN 174.A O no hydrogen 3.008 N/A VAL 146.A N TYR 142.A O no hydrogen 3.074 N/A ALA 147.A N SER 143.A O no hydrogen 3.079 N/A LYS 148.A N PHE 144.A O no hydrogen 3.074 N/A GLY 149.A N GLN 145.A O no hydrogen 2.947 N/A MET 150.A N VAL 146.A O no hydrogen 2.848 N/A GLU 151.A N ALA 147.A O no hydrogen 2.839 N/A PHE 152.A N LYS 148.A O no hydrogen 3.040 N/A LEU 153.A N GLY 149.A O no hydrogen 2.979 N/A ALA 154.A N MET 150.A O no hydrogen 2.945 N/A SER 155.A N GLU 151.A O no hydrogen 3.087 N/A SER 155.A OG PHE 152.A O no hydrogen 2.580 N/A ARG 156.A N LEU 153.A O no hydrogen 2.951 N/A ARG 156.A NE HIS 75.A O no hydrogen 3.153 N/A ARG 156.A NH2 HIS 75.A O no hydrogen 2.862 N/A LYS 157.A N ALA 154.A O no hydrogen 2.993 N/A LYS 157.A NZ ALA 154.A O no hydrogen 3.267 N/A CYS 158.A N LEU 153.A O no hydrogen 3.179 N/A CYS 158.A SG ARG 156.A O no hydrogen 3.752 N/A HIS 160.A N ASP 221.A OD2 no hydrogen 2.713 N/A HIS 160.A NE2 CYS 179.A O no hydrogen 2.778 N/A ARG 161.A N ASP 221.A OD1 no hydrogen 3.037 N/A ASP 162.A N HIS 160.A ND1 no hydrogen 3.111 N/A ALA 165.A N GLU 231.A OE1 no hydrogen 3.010 N/A ARG 166.A NE TYR 193.A OH no hydrogen 2.775 N/A ARG 166.A NH1 ASP 162.A OD1 no hydrogen 3.106 N/A ASN 167.A N ALA 164.A O no hydrogen 3.041 N/A ASN 167.A ND2 ASP 162.A O no hydrogen 2.775 N/A ILE 168.A N ALA 165.A O no hydrogen 3.092 N/A LEU 169.A N LYS 177.A O no hydrogen 2.853 N/A LEU 170.A N GLY 106.A O no hydrogen 2.869 N/A SER 171.A N VAL 175.A O no hydrogen 2.795 N/A VAL 175.A N GLU 172.A O no hydrogen 3.252 N/A VAL 176.A N GLN 145.A OE1 no hydrogen 3.056 N/A LYS 177.A N LEU 169.A O no hydrogen 2.769 N/A LYS 177.A NZ LEU 80.A O no hydrogen 2.872 N/A LYS 177.A NZ GLU 101.A OE1 no hydrogen 2.813 N/A ILE 178.A N ASN 81.A O no hydrogen 2.818 N/A CYS 179.A N ASN 167.A O no hydrogen 2.894 N/A CYS 179.A SG ASN 167.A O no hydrogen 3.416 N/A GLY 182.A N ASP 180.A OD2 no hydrogen 2.961 N/A LEU 183.A N GLU 69.A OE2 no hydrogen 2.985 N/A ALA 184.A N PHE 181.A O no hydrogen 2.977 N/A ARG 185.A N GLY 182.A O no hydrogen 3.022 N/A ARG 185.A NH1 ARG 166.A O no hydrogen 3.135 N/A ARG 185.A NH1 ASN 167.A OD1 no hydrogen 2.938 N/A ARG 185.A NH2 ASP 190.A OD2 no hydrogen 3.507 N/A LYS 189.A N ASP 186.A O no hydrogen 3.287 N/A ASP 192.A N ASP 190.A OD1 no hydrogen 3.044 N/A TYR 193.A N ASP 190.A O no hydrogen 3.132 N/A TYR 193.A OH ASP 162.A OD2 no hydrogen 2.569 N/A VAL 194.A N LEU 201.A O no hydrogen 2.716 N/A LYS 196.A N ALA 199.A O no hydrogen 3.087 N/A LYS 196.A NZ GLU 247.A OE2 no hydrogen 2.771 N/A ARG 200.A NH1 ASP 198.A O no hydrogen 3.558 N/A LEU 201.A N VAL 194.A O no hydrogen 2.743 N/A LEU 203.A N LEU 201.A O no hydrogen 2.835 N/A LYS 204.A NZ SER 238.A OG no hydrogen 2.548 N/A LYS 204.A NZ PRO 239.A O no hydrogen 2.857 N/A TRP 205.A N PRO 202.A O no hydrogen 2.919 N/A TRP 205.A NE1 GLU 231.A OE1 no hydrogen 2.799 N/A MET 206.A N LEU 203.A O no hydrogen 3.293 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.841 N/A THR 210.A N ALA 207.A O no hydrogen 2.967 N/A THR 210.A OG1 VAL 215.A O no hydrogen 2.691 N/A ILE 211.A N ALA 207.A O no hydrogen 2.956 N/A PHE 212.A N PRO 208.A O no hydrogen 2.896 N/A ASP 213.A N GLU 209.A O no hydrogen 2.894 N/A ARG 214.A N THR 210.A O no hydrogen 3.053 N/A VAL 215.A N GLU 209.A O no hydrogen 3.405 N/A THR 217.A N SER 220.A OG no hydrogen 2.792 N/A THR 217.A OG1 GLN 219.A OE1 no hydrogen 2.997 N/A GLN 219.A N THR 217.A OG1 no hydrogen 3.147 N/A SER 220.A N THR 217.A O no hydrogen 3.240 N/A SER 220.A N THR 217.A OG1 no hydrogen 3.258 N/A SER 220.A OG THR 217.A O no hydrogen 2.794 N/A ASP 221.A N THR 217.A O no hydrogen 3.203 N/A VAL 222.A N ILE 218.A O no hydrogen 3.150 N/A TRP 223.A N GLN 219.A O no hydrogen 3.355 N/A SER 224.A N SER 220.A O no hydrogen 3.098 N/A SER 224.A OG TRP 205.A O no hydrogen 2.682 N/A SER 224.A OG SER 220.A O no hydrogen 3.330 N/A PHE 225.A N ASP 221.A O no hydrogen 2.801 N/A GLY 226.A N VAL 222.A O no hydrogen 3.007 N/A VAL 227.A N TRP 223.A O no hydrogen 3.206 N/A LEU 228.A N SER 224.A O no hydrogen 2.882 N/A LEU 229.A N PHE 225.A O no hydrogen 2.910 N/A TRP 230.A N GLY 226.A O no hydrogen 3.203 N/A TRP 230.A NE1 ARG 260.A O no hydrogen 3.028 N/A GLU 231.A N VAL 227.A O no hydrogen 2.954 N/A ILE 232.A N LEU 228.A O no hydrogen 2.851 N/A PHE 233.A N LEU 229.A O no hydrogen 2.979 N/A SER 234.A OG TRP 230.A O no hydrogen 2.999 N/A SER 234.A OG GLU 231.A O no hydrogen 2.941 N/A LEU 235.A N ILE 232.A O no hydrogen 3.178 N/A GLY 236.A N GLU 231.A O no hydrogen 2.740 N/A ALA 237.A N SER 234.A OG no hydrogen 3.069 N/A VAL 243.A N TYR 240.A O no hydrogen 3.134 N/A PHE 249.A N ASP 246.A OD2 no hydrogen 3.065 N/A CYS 250.A N ASP 246.A O no hydrogen 3.281 N/A CYS 250.A SG ASP 246.A O no hydrogen 3.335 N/A ARG 251.A N GLU 247.A O no hydrogen 2.953 N/A ARG 252.A N GLU 248.A O no hydrogen 2.883 N/A LEU 253.A N PHE 249.A O no hydrogen 3.049 N/A LYS 254.A N CYS 250.A O no hydrogen 3.167 N/A GLU 255.A N ARG 251.A O no hydrogen 2.964 N/A GLY 256.A N LEU 253.A O no hydrogen 3.308 N/A THR 257.A N ARG 252.A O no hydrogen 2.882 N/A THR 257.A OG1 ARG 252.A O no hydrogen 3.191 N/A ARG 258.A NE TRP 277.A O no hydrogen 2.913 N/A ARG 258.A NH1 TRP 277.A O no hydrogen 2.931 N/A ARG 258.A NH2 LEU 253.A O no hydrogen 2.828 N/A ARG 258.A NH2 THR 257.A O no hydrogen 2.796 N/A TYR 264.A N PHE 233.A O no hydrogen 2.959 N/A THR 265.A N PRO 262.A O no hydrogen 3.372 N/A THR 265.A OG1 THR 266.A O no hydrogen 2.846 N/A MET 269.A N THR 266.A OG1 no hydrogen 3.100 N/A TYR 270.A N THR 266.A O no hydrogen 3.191 N/A TYR 270.A OH MET 259.A O no hydrogen 2.591 N/A GLN 271.A N PRO 267.A O no hydrogen 3.279 N/A GLN 271.A NE2 ASP 275.A OD1 no hydrogen 2.970 N/A THR 272.A N GLU 268.A O no hydrogen 3.106 N/A THR 272.A OG1 GLU 268.A O no hydrogen 2.991 N/A MET 273.A N MET 269.A O no hydrogen 3.005 N/A LEU 274.A N TYR 270.A O no hydrogen 2.986 N/A ASP 275.A N GLN 271.A O no hydrogen 2.784 N/A CYS 276.A N THR 272.A O no hydrogen 2.985 N/A CYS 276.A SG THR 272.A O no hydrogen 3.333 N/A TRP 277.A N MET 273.A O no hydrogen 3.041 N/A TRP 277.A N LEU 274.A O no hydrogen 3.075 N/A HIS 278.A N ASP 275.A O no hydrogen 3.343 N/A GLU 280.A N HIS 278.A ND1 no hydrogen 3.095 N/A GLN 283.A N GLU 280.A O no hydrogen 2.851 N/A ARG 284.A N PRO 281.A O no hydrogen 3.299 N/A ARG 284.A NE HIS 278.A O no hydrogen 2.749 N/A ARG 284.A NH1 GLU 209.A OE2 no hydrogen 2.772 N/A ARG 284.A NH1 GLN 219.A O no hydrogen 3.017 N/A ARG 284.A NH2 GLU 209.A OE1 no hydrogen 2.979 N/A ARG 284.A NH2 HIS 278.A O no hydrogen 3.014 N/A THR 286.A N GLU 289.A OE1 no hydrogen 2.978 N/A SER 288.A OG GLU 151.A OE2 no hydrogen 2.592 N/A GLU 289.A N THR 286.A OG1 no hydrogen 3.107 N/A LEU 290.A N THR 286.A O no hydrogen 2.864 N/A VAL 291.A N PHE 287.A O no hydrogen 2.795 N/A GLU 292.A N SER 288.A O no hydrogen 2.994 N/A HIS 293.A N GLU 289.A O no hydrogen 2.910 N/A LEU 294.A N LEU 290.A O no hydrogen 2.892 N/A GLY 295.A N VAL 291.A O no hydrogen 3.001 N/A ASN 296.A N GLU 292.A O no hydrogen 3.032 N/A LEU 297.A N HIS 293.A O no hydrogen 2.940 N/A LEU 298.A N LEU 294.A O no hydrogen 2.867 N/A GLN 299.A N GLY 295.A O no hydrogen 3.057 N/A ALA 300.A N ASN 296.A O no hydrogen 2.894 N/A ASN 301.A N LEU 297.A O no hydrogen 2.932 N/A ALA 302.A N LEU 298.A O no hydrogen 3.192 N/A GLN 304.A N ASN 301.A O no hydrogen 3.095 N/A ASP 305.A N ALA 302.A O no hydrogen 3.049 N/A ARG 306.A NE GLN 303.A O no hydrogen 3.063 N/A HIS 308.A NE2 GLU 127.A OE2 no hydrogen 2.604 N/A