Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cml_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A OG GLU 81.A OE2 no hydrogen 2.855 N/A LYS 6.A NZ ASN 44.A O no hydrogen 2.915 N/A LYS 6.A NZ GLU 75.A OE1 no hydrogen 2.786 N/A ASP 9.A N TYR 82.A OH no hydrogen 2.684 N/A GLY 10.A N THR 7.A O no hydrogen 2.943 N/A LYS 11.A N GLY 17.A O no hydrogen 2.828 N/A GLY 15.A N ILE 12.A O no hydrogen 2.671 N/A LYS 20.A N TYR 8.A O no hydrogen 2.939 N/A TRP 22.A NE1 GLN 210.A OE1 no hydrogen 2.953 N/A ILE 23.A N ILE 38.A O no hydrogen 3.178 N/A LYS 25.A N ALA 36.A O no hydrogen 2.926 N/A ILE 38.A N ILE 23.A O no hydrogen 2.818 N/A ARG 41.A NE GLU 206.A OE1 no hydrogen 3.272 N/A ARG 41.A NE GLU 206.A OE2 no hydrogen 2.999 N/A ARG 41.A NH1 SER 109.A OG no hydrogen 2.871 N/A ARG 41.A NH1 ASP 112.A OD2 no hydrogen 2.875 N/A ARG 41.A NH2 ASP 112.A OD2 no hydrogen 3.042 N/A ARG 41.A NH2 GLU 206.A OE1 no hydrogen 2.816 N/A THR 42.A OG1 ASP 112.A OD2 no hydrogen 2.770 N/A GLN 43.A N PRO 39.A O no hydrogen 3.238 N/A GLN 43.A NE2 GLN 21.A O no hydrogen 2.964 N/A GLN 43.A NE2 ILE 38.A O no hydrogen 3.241 N/A GLN 43.A NE2 PRO 39.A O no hydrogen 3.291 N/A ASN 44.A N ARG 41.A O no hydrogen 3.002 N/A LEU 45.A N THR 42.A O no hydrogen 3.253 N/A CYS 46.A N GLU 75.A OE1 no hydrogen 2.997 N/A CYS 46.A SG ALA 71.A O no hydrogen 4.027 N/A GLU 49.A N GLU 49.A OE1 no hydrogen 2.758 N/A LEU 50.A N VAL 47.A O no hydrogen 2.864 N/A ASN 55.A N LEU 50.A O no hydrogen 3.074 N/A ASP 59.A N ILE 56.A O no hydrogen 3.253 N/A THR 60.A OG1 GLU 62.A OE1 no hydrogen 2.672 N/A LYS 61.A NZ GLY 142.A O no hydrogen 2.844 N/A LEU 64.A N THR 60.A O no hydrogen 2.883 N/A LYS 65.A N LYS 61.A O no hydrogen 2.918 N/A LYS 65.A NZ GLU 161.A OE1 no hydrogen 3.017 N/A GLU 66.A N GLU 62.A O no hydrogen 3.126 N/A LYS 67.A N LEU 63.A O no hydrogen 3.153 N/A ILE 68.A N LEU 64.A O no hydrogen 3.010 N/A LYS 69.A N LYS 65.A O no hydrogen 3.030 N/A ASN 70.A N GLU 66.A O no hydrogen 2.960 N/A ALA 71.A N LYS 67.A O no hydrogen 2.881 N/A ILE 72.A N ILE 68.A O no hydrogen 2.899 N/A HIS 73.A N LYS 69.A O no hydrogen 2.932 N/A LYS 74.A N ASN 70.A O no hydrogen 2.988 N/A LYS 74.A NZ GLU 77.A OE2 no hydrogen 3.331 N/A GLU 75.A N ALA 71.A O no hydrogen 2.890 N/A THR 76.A N ILE 72.A O no hydrogen 3.045 N/A THR 76.A OG1 ILE 72.A O no hydrogen 2.866 N/A GLU 77.A N HIS 73.A O no hydrogen 3.110 N/A LEU 78.A N LYS 74.A O no hydrogen 2.796 N/A LEU 79.A N GLU 75.A O no hydrogen 2.831 N/A TYR 80.A N THR 76.A O no hydrogen 2.960 N/A GLU 81.A N GLU 77.A O no hydrogen 3.257 N/A TYR 82.A N LEU 78.A O no hydrogen 3.026 N/A TYR 82.A OH GLY 10.A O no hydrogen 2.524 N/A HIS 83.A N LEU 79.A O no hydrogen 3.074 N/A ASP 84.A N TYR 80.A O no hydrogen 2.793 N/A THR 85.A N GLU 81.A O no hydrogen 3.014 N/A THR 85.A OG1 GLU 81.A O no hydrogen 2.919 N/A THR 85.A OG1 TYR 82.A O no hydrogen 3.407 N/A THR 85.A OG1 THR 87.A OG1 no hydrogen 2.730 N/A GLY 86.A N HIS 83.A O no hydrogen 3.021 N/A THR 87.A N TYR 82.A O no hydrogen 3.077 N/A THR 87.A OG1 THR 85.A OG1 no hydrogen 2.730 N/A ALA 88.A N TYR 82.A O no hydrogen 3.143 N/A ILE 89.A N ASP 9.A OD2 no hydrogen 2.796 N/A SER 91.A N ALA 88.A O no hydrogen 2.902 N/A SER 91.A OG ALA 88.A O no hydrogen 2.628 N/A LYS 92.A N ILE 89.A O no hydrogen 3.350 N/A LYS 100.A N LYS 95.A O no hydrogen 3.025 N/A LYS 100.A NZ GLU 287.A OE2 no hydrogen 2.752 N/A PHE 102.A N PRO 99.A O no hydrogen 3.164 N/A HIS 104.A ND1 GLU 209.A OE1 no hydrogen 3.151 N/A HIS 104.A ND1 GLU 209.A OE2 no hydrogen 3.004 N/A ALA 105.A N GLY 101.A O no hydrogen 2.931 N/A VAL 106.A N PHE 102.A O no hydrogen 2.957 N/A GLN 107.A N CYS 103.A O no hydrogen 2.988 N/A ARG 108.A N HIS 104.A O no hydrogen 3.068 N/A ARG 108.A NH1 GLU 209.A OE1 no hydrogen 3.007 N/A ARG 108.A NH2 GLU 209.A OE1 no hydrogen 2.732 N/A ARG 108.A NH2 TYR 285.A OH no hydrogen 2.885 N/A SER 109.A N ALA 105.A O no hydrogen 2.982 N/A SER 109.A OG GLU 75.A OE2 no hydrogen 2.696 N/A SER 109.A OG ALA 105.A O no hydrogen 3.460 N/A PHE 110.A N VAL 106.A O no hydrogen 2.994 N/A ILE 111.A N GLN 107.A O no hydrogen 3.070 N/A ASP 112.A N ARG 108.A O no hydrogen 2.976 N/A TYR 113.A N SER 109.A O no hydrogen 2.920 N/A TYR 113.A OH CYS 46.A O no hydrogen 2.544 N/A LYS 114.A N PHE 110.A O no hydrogen 2.943 N/A ASN 115.A N ILE 111.A O no hydrogen 2.950 N/A ASN 115.A ND2 ILE 111.A O no hydrogen 2.891 N/A ASN 115.A ND2 GLU 197.A O no hydrogen 3.615 N/A MET 116.A N ASP 112.A O no hydrogen 2.973 N/A ILE 117.A N TYR 113.A O no hydrogen 3.043 N/A LEU 118.A N LYS 114.A O no hydrogen 2.930 N/A THR 120.A OG1 ASN 115.A OD1 no hydrogen 2.950 N/A VAL 122.A N GLN 199.A OE1 no hydrogen 3.075 N/A LEU 131.A N ILE 128.A O no hydrogen 3.228 N/A GLN 132.A N GLY 129.A O no hydrogen 3.063 N/A GLN 132.A NE2 ASN 115.A O no hydrogen 3.689 N/A GLN 132.A NE2 MET 116.A O no hydrogen 3.050 N/A GLU 133.A N LYS 130.A O no hydrogen 3.178 N/A ASP 134.A N LYS 130.A O no hydrogen 3.454 N/A ILE 135.A N LEU 131.A O no hydrogen 3.205 N/A LYS 136.A N GLN 132.A O no hydrogen 3.200 N/A LYS 137.A N GLU 133.A O no hydrogen 3.283 N/A ILE 138.A N ASP 134.A O no hydrogen 3.016 N/A ILE 139.A N ILE 135.A O no hydrogen 2.951 N/A GLU 140.A N LYS 136.A O no hydrogen 2.916 N/A LYS 141.A N LYS 137.A O no hydrogen 3.030 N/A GLY 142.A N ILE 138.A O no hydrogen 2.952 N/A THR 143.A OG1 ILE 139.A O no hydrogen 2.729 N/A THR 143.A OG1 ASN 150.A OD1 no hydrogen 2.599 N/A ASN 150.A ND2 PRO 144.A O no hydrogen 3.382 N/A ASN 152.A N THR 148.A O no hydrogen 3.138 N/A ALA 153.A N GLU 149.A O no hydrogen 2.926 N/A TRP 154.A N ASN 150.A O no hydrogen 2.892 N/A TRP 155.A N VAL 151.A O no hydrogen 3.006 N/A TRP 155.A NE1 GLU 159.A OE2 no hydrogen 2.944 N/A LYS 156.A N ASN 152.A O no hydrogen 3.027 N/A GLY 157.A N ALA 153.A O no hydrogen 2.992 N/A ILE 158.A N TRP 155.A O no hydrogen 2.971 N/A ARG 160.A NH1 SER 190.A OG no hydrogen 2.670 N/A MET 162.A N ILE 158.A O no hydrogen 3.002 N/A TRP 163.A N GLU 159.A O no hydrogen 2.936 N/A TRP 163.A NE1 GLY 188.A O no hydrogen 2.944 N/A ASP 164.A N ARG 160.A O no hydrogen 3.024 N/A ALA 165.A N MET 162.A O no hydrogen 3.104 N/A VAL 166.A N TRP 163.A O no hydrogen 2.868 N/A ARG 167.A N TRP 163.A O no hydrogen 3.093 N/A ARG 167.A NE ASP 185.A OD1 no hydrogen 2.802 N/A ARG 167.A NH1 ASP 164.A OD1 no hydrogen 2.905 N/A ARG 167.A NH2 ASP 185.A OD1 no hydrogen 2.891 N/A CYS 168.A N ASP 164.A O no hydrogen 2.750 N/A ALA 169.A N ALA 165.A O no hydrogen 3.005 N/A ILE 170.A N VAL 166.A O no hydrogen 3.019 N/A THR 171.A N ARG 167.A O no hydrogen 3.097 N/A THR 171.A OG1 CYS 168.A O no hydrogen 2.672 N/A LYS 172.A N CYS 168.A O no hydrogen 2.927 N/A ILE 173.A N ILE 170.A O no hydrogen 3.338 N/A ASN 174.A N THR 171.A O no hydrogen 2.935 N/A LYS 175.A N ILE 173.A O no hydrogen 2.619 N/A LYS 176.A N ILE 173.A O no hydrogen 2.960 N/A ASN 183.A N GLU 186.A OE2 no hydrogen 2.859 N/A GLY 184.A N GLU 186.A OE1 no hydrogen 2.790 N/A ASP 185.A N ASN 183.A OD1 no hydrogen 2.902 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.710 N/A GLY 188.A N ASP 185.A O no hydrogen 2.899 N/A GLU 197.A N GLY 194.A O no hydrogen 3.370 N/A ASP 198.A N ASN 195.A O no hydrogen 3.087 N/A GLN 199.A NE2 ASP 112.A OD1 no hydrogen 2.625 N/A SER 200.A N ASP 198.A OD1 no hydrogen 3.186 N/A SER 202.A N ASP 198.A O no hydrogen 3.070 N/A TRP 203.A N GLN 199.A O no hydrogen 2.888 N/A TRP 203.A NE1 ASP 112.A OD1 no hydrogen 2.885 N/A PHE 204.A N SER 200.A O no hydrogen 3.215 N/A LYS 205.A N VAL 201.A O no hydrogen 2.908 N/A GLU 206.A N SER 202.A O no hydrogen 3.029 N/A TRP 207.A N TRP 203.A O no hydrogen 2.880 N/A TRP 207.A NE1 GLU 260.A OE1 no hydrogen 2.709 N/A GLY 208.A N PHE 204.A O no hydrogen 2.854 N/A GLU 209.A N LYS 205.A O no hydrogen 2.928 N/A GLN 210.A N GLU 206.A O no hydrogen 3.105 N/A GLN 210.A NE2 GLU 214.A OE1 no hydrogen 2.894 N/A PHE 211.A N TRP 207.A O no hydrogen 2.842 N/A CYS 212.A N GLY 208.A O no hydrogen 2.939 N/A CYS 212.A SG GLY 208.A O no hydrogen 3.209 N/A ILE 213.A N GLU 209.A O no hydrogen 3.016 N/A GLU 214.A N GLN 210.A O no hydrogen 2.962 N/A ARG 215.A N PHE 211.A O no hydrogen 2.898 N/A ARG 215.A NE ASP 311.A OD2 no hydrogen 2.780 N/A ARG 215.A NH1 SER 290.A OG no hydrogen 2.958 N/A ARG 215.A NH2 ASP 311.A OD2 no hydrogen 2.688 N/A LEU 216.A N CYS 212.A O no hydrogen 3.162 N/A ARG 217.A N ILE 213.A O no hydrogen 3.218 N/A TYR 218.A N GLU 214.A O no hydrogen 3.001 N/A GLU 219.A N ARG 215.A O no hydrogen 2.987 N/A GLN 220.A N LEU 216.A O no hydrogen 3.042 N/A ASN 221.A N ARG 217.A O no hydrogen 3.179 N/A ILE 222.A N TYR 218.A O no hydrogen 2.900 N/A ARG 223.A N GLU 219.A O no hydrogen 2.834 N/A ARG 223.A NE GLU 219.A OE2 no hydrogen 3.379 N/A ARG 223.A NH2 GLU 219.A OE2 no hydrogen 3.478 N/A GLU 224.A N GLN 220.A O no hydrogen 3.088 N/A ALA 225.A N ASN 221.A O no hydrogen 3.215 N/A ALA 225.A N ILE 222.A O no hydrogen 3.110 N/A CYS 226.A N ILE 222.A O no hydrogen 2.796 N/A CYS 226.A SG ILE 222.A O no hydrogen 2.951 N/A CYS 226.A SG CYS 243.A O no hydrogen 3.948 N/A LYS 244.A N GLN 240.A O no hydrogen 2.898 N/A ARG 245.A N GLY 241.A O no hydrogen 2.910 N/A LYS 246.A N ALA 242.A O no hydrogen 3.129 N/A CYS 247.A N CYS 243.A O no hydrogen 3.115 N/A CYS 247.A SG CYS 243.A O no hydrogen 3.095 N/A GLU 248.A N LYS 244.A O no hydrogen 2.810 N/A LYS 249.A N ARG 245.A O no hydrogen 3.040 N/A TYR 250.A N LYS 246.A O no hydrogen 3.218 N/A TYR 250.A OH ASP 311.A OD1 no hydrogen 2.622 N/A LYS 251.A N CYS 247.A O no hydrogen 3.007 N/A LYS 252.A N GLU 248.A O no hydrogen 3.001 N/A TYR 253.A N LYS 249.A O no hydrogen 2.967 N/A TYR 253.A OH GLU 214.A OE1 no hydrogen 2.893 N/A ILE 254.A N TYR 250.A O no hydrogen 2.913 N/A SER 255.A N LYS 251.A O no hydrogen 3.079 N/A GLU 256.A N LYS 252.A O no hydrogen 3.042 N/A LYS 257.A N TYR 253.A O no hydrogen 2.946 N/A LYS 257.A NZ GLU 260.A OE1 no hydrogen 3.029 N/A LYS 258.A N ILE 254.A O no hydrogen 2.871 N/A LYS 258.A NZ ASP 262.A OD2 no hydrogen 2.974 N/A TRP 261.A N LYS 257.A O no hydrogen 2.960 N/A ASP 262.A N LYS 258.A O no hydrogen 2.981 N/A LYS 263.A N GLN 259.A O no hydrogen 3.276 N/A GLN 264.A N GLU 260.A O no hydrogen 3.215 N/A GLN 264.A NE2 GLU 260.A O no hydrogen 2.880 N/A LYS 265.A N TRP 261.A O no hydrogen 2.776 N/A LYS 265.A NZ GLU 269.A OE1 no hydrogen 2.887 N/A THR 266.A N ASP 262.A O no hydrogen 3.005 N/A THR 266.A OG1 ASP 262.A O no hydrogen 2.810 N/A LYS 267.A N LYS 263.A O no hydrogen 3.129 N/A TYR 268.A N GLN 264.A O no hydrogen 2.891 N/A GLU 269.A N LYS 265.A O no hydrogen 2.893 N/A ASN 270.A N THR 266.A O no hydrogen 3.022 N/A LYS 271.A N LYS 267.A O no hydrogen 3.268 N/A LYS 271.A N TYR 268.A O no hydrogen 3.211 N/A LYS 271.A NZ ASP 198.A OD2 no hydrogen 2.826 N/A TYR 272.A N TYR 268.A O no hydrogen 2.823 N/A TYR 272.A OH ASP 198.A OD2 no hydrogen 2.722 N/A LYS 275.A N TYR 272.A O no hydrogen 3.091 N/A ALA 277.A N GLU 269.A OE2 no hydrogen 2.855 N/A ASP 279.A N SER 276.A OG no hydrogen 3.090 N/A LEU 280.A N SER 276.A O no hydrogen 3.147 N/A LEU 281.A N ALA 277.A O no hydrogen 3.254 N/A LYS 282.A N SER 278.A O no hydrogen 3.001 N/A LYS 282.A NZ CYS 288.A O no hydrogen 3.230 N/A LYS 282.A NZ ALA 291.A O no hydrogen 2.748 N/A GLU 283.A N ASP 279.A O no hydrogen 2.851 N/A ASN 284.A N LEU 281.A O no hydrogen 3.310 N/A ASN 284.A ND2 LEU 280.A O no hydrogen 2.634 N/A TYR 285.A N LEU 281.A O no hydrogen 3.050 N/A GLU 287.A N GLU 287.A OE1 no hydrogen 2.791 N/A CYS 288.A N TYR 285.A O no hydrogen 2.989 N/A CYS 288.A SG GLY 208.A O no hydrogen 3.477 N/A ILE 289.A N PRO 286.A O no hydrogen 3.167 N/A ALA 291.A N CYS 288.A O no hydrogen 3.086 N/A PHE 295.A N ASN 292.A OD1 no hydrogen 3.254 N/A ILE 296.A N ASN 292.A O no hydrogen 2.846 N/A PHE 297.A N PHE 293.A O no hydrogen 2.862 N/A ASN 298.A N PHE 295.A O no hydrogen 3.326 N/A TYR 303.A OH ILE 296.A O no hydrogen 3.418 N/A TYR 306.A N GLU 302.A O no hydrogen 2.940 N/A TYR 307.A N TYR 303.A O no hydrogen 2.763 N/A TYR 309.A N SER 313.A OG no hydrogen 3.001 N/A TYR 309.A OH GLU 248.A OE2 no hydrogen 2.629 N/A GLY 310.A N TYR 307.A O no hydrogen 3.064 N/A TYR 312.A N TYR 309.A O no hydrogen 3.086 N/A SER 313.A N GLY 310.A O no hydrogen 3.074 N/A SER 313.A OG GLY 310.A O no hydrogen 2.780 N/A CYS 316.A N TYR 312.A O no hydrogen 2.943 N/A CYS 316.A SG TYR 312.A O no hydrogen 3.322 N/A