Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fml_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH2 PRO 83.A O no hydrogen 2.762 N/A TYR 6.A N VAL 17.A O no hydrogen 2.879 N/A TYR 6.A OH TYR 21.A O no hydrogen 2.755 N/A LEU 10.A N THR 13.A O no hydrogen 2.912 N/A THR 13.A OG1 ASN 11.A O no hydrogen 2.775 N/A TRP 15.A N GLN 8.A O no hydrogen 2.674 N/A GLU 16.A N TYR 94.A OH no hydrogen 3.039 N/A VAL 17.A N TYR 6.A O no hydrogen 3.234 N/A GLU 19.A N THR 4.A O no hydrogen 2.998 N/A ARG 20.A NE ASP 34.A OD1 no hydrogen 2.804 N/A ARG 20.A NH2 ASP 34.A OD1 no hydrogen 3.133 N/A ARG 20.A NH2 ASP 34.A OD2 no hydrogen 2.623 N/A TYR 21.A N PRO 18.A O no hydrogen 3.082 N/A TYR 21.A OH ASP 79.A OD1 no hydrogen 2.683 N/A GLN 22.A N PHE 33.A O no hydrogen 2.910 N/A GLN 22.A NE2 GLU 19.A O no hydrogen 2.602 N/A SER 25.A N ALA 31.A O no hydrogen 2.772 N/A VAL 27.A N VAL 29.A O no hydrogen 2.935 N/A SER 28.A OG ASN 11.A OD1 no hydrogen 3.335 N/A CYS 30.A N VAL 43.A O no hydrogen 2.763 N/A ALA 31.A N SER 25.A O no hydrogen 2.759 N/A ALA 32.A N VAL 41.A O no hydrogen 2.856 N/A PHE 33.A N GLN 22.A O no hydrogen 2.747 N/A ASP 34.A N LEU 39.A O no hydrogen 2.913 N/A THR 35.A N ARG 20.A O no hydrogen 2.892 N/A THR 35.A OG1 ARG 20.A O no hydrogen 2.788 N/A LYS 36.A N ASP 34.A OD1 no hydrogen 3.162 N/A THR 37.A N ASP 34.A O no hydrogen 3.253 N/A THR 37.A OG1 ASP 34.A OD2 no hydrogen 2.641 N/A GLY 38.A N ASP 34.A O no hydrogen 2.718 N/A LEU 39.A N THR 37.A OG1 no hydrogen 3.286 N/A VAL 41.A N ALA 32.A O no hydrogen 2.916 N/A ALA 42.A N THR 97.A O no hydrogen 2.809 N/A VAL 43.A N CYS 30.A O no hydrogen 2.665 N/A LYS 44.A N LEU 95.A O no hydrogen 2.762 N/A LYS 44.A NZ GLU 62.A OE1 no hydrogen 3.364 N/A LYS 44.A NZ GLU 62.A OE2 no hydrogen 2.645 N/A LYS 45.A N SER 28.A O no hydrogen 3.159 N/A LYS 45.A NZ ILE 14.A O no hydrogen 2.917 N/A LEU 46.A N VAL 93.A O no hydrogen 3.080 N/A ARG 48.A NH2 GLN 51.A OE1 no hydrogen 2.708 N/A GLN 51.A NE2 ARG 48.A O no hydrogen 3.622 N/A SER 52.A OG HIS 55.A ND1 no hydrogen 2.548 N/A HIS 55.A N SER 52.A OG no hydrogen 3.091 N/A HIS 55.A ND1 SER 52.A OG no hydrogen 2.548 N/A ALA 56.A N SER 52.A O no hydrogen 2.792 N/A LYS 57.A N ILE 53.A O no hydrogen 2.801 N/A LYS 57.A NZ GLU 318.A O no hydrogen 2.684 N/A LYS 57.A NZ ARG 320.A O no hydrogen 3.426 N/A ARG 58.A N ILE 54.A O no hydrogen 2.978 N/A THR 59.A N HIS 55.A O no hydrogen 2.927 N/A THR 59.A OG1 PRO 49.A O no hydrogen 2.811 N/A THR 59.A OG1 HIS 55.A O no hydrogen 3.072 N/A TYR 60.A N ALA 56.A O no hydrogen 3.054 N/A ARG 61.A N LYS 57.A O no hydrogen 2.786 N/A ARG 61.A NE GLU 318.A OE1 no hydrogen 3.193 N/A ARG 61.A NE GLU 318.A OE2 no hydrogen 2.710 N/A ARG 61.A NH1 GLU 318.A OE1 no hydrogen 2.823 N/A GLU 62.A N ARG 58.A O no hydrogen 2.909 N/A LEU 63.A N THR 59.A O no hydrogen 3.089 N/A ARG 64.A N TYR 60.A O no hydrogen 2.880 N/A ARG 64.A NH1 TYR 60.A OH no hydrogen 2.990 N/A ARG 64.A NH1 ASP 314.A O no hydrogen 3.459 N/A ARG 64.A NH2 ASP 314.A O no hydrogen 2.733 N/A LEU 65.A N ARG 61.A O no hydrogen 2.991 N/A LEU 66.A N GLU 62.A O no hydrogen 2.972 N/A LYS 67.A N LEU 63.A O no hydrogen 2.901 N/A LYS 67.A NZ GLU 334.A O no hydrogen 2.661 N/A LYS 67.A NZ GLU 334.A OE1 no hydrogen 2.661 N/A HIS 68.A N ARG 64.A O no hydrogen 3.143 N/A HIS 68.A NE2 PRO 312.A O no hydrogen 2.988 N/A MET 69.A N LEU 65.A O no hydrogen 3.293 N/A LYS 70.A N TYR 131.A OH no hydrogen 2.857 N/A ASN 73.A ND2 GLN 124.A OE1 no hydrogen 3.575 N/A ASN 73.A ND2 LEU 155.A O no hydrogen 2.971 N/A VAL 74.A N HIS 71.A O no hydrogen 3.168 N/A ILE 75.A N ILE 157.A O no hydrogen 2.975 N/A LEU 78.A N VAL 96.A O no hydrogen 2.777 N/A ASP 79.A N VAL 96.A O no hydrogen 3.359 N/A PHE 81.A N TYR 94.A O no hydrogen 3.124 N/A THR 82.A OG1 ASP 92.A O no hydrogen 2.849 N/A ALA 84.A N THR 82.A OG1 no hydrogen 3.317 N/A ARG 85.A N GLU 89.A OE1 no hydrogen 3.363 N/A SER 86.A OG GLU 88.A OE2 no hydrogen 3.550 N/A SER 86.A OG GLU 89.A OE2 no hydrogen 3.419 N/A GLU 89.A N SER 86.A O no hydrogen 3.207 N/A PHE 90.A N LEU 87.A O no hydrogen 3.077 N/A TYR 94.A N PHE 81.A O no hydrogen 2.996 N/A LEU 95.A N LYS 44.A O no hydrogen 2.775 N/A VAL 96.A N ASP 79.A O no hydrogen 2.863 N/A THR 97.A N ALA 42.A O no hydrogen 3.118 N/A THR 97.A OG1 GLY 76.A O no hydrogen 2.483 N/A LEU 99.A N ARG 40.A O no hydrogen 2.948 N/A ALA 102.A N VAL 149.A O no hydrogen 3.371 N/A ASP 103.A N ASN 106.A OD1 no hydrogen 3.257 N/A LEU 104.A N PRO 144.A O no hydrogen 3.168 N/A ASN 106.A N ASP 103.A OD2 no hydrogen 2.999 N/A ILE 107.A N LEU 104.A O no hydrogen 3.183 N/A VAL 108.A N LEU 104.A O no hydrogen 2.983 N/A LYS 109.A N ASN 105.A O no hydrogen 2.797 N/A GLN 111.A N VAL 108.A O no hydrogen 2.776 N/A GLN 111.A NE2 LYS 112.A O no hydrogen 3.325 N/A LEU 113.A N LEU 206.A O no hydrogen 3.234 N/A HIS 117.A N THR 114.A OG1 no hydrogen 3.245 N/A VAL 118.A N THR 114.A O no hydrogen 3.025 N/A GLN 119.A N ASP 115.A O no hydrogen 2.913 N/A GLN 119.A NE2 ASP 115.A OD2 no hydrogen 3.169 N/A PHE 120.A N ASP 116.A O no hydrogen 3.119 N/A LEU 121.A N HIS 117.A O no hydrogen 2.932 N/A ILE 122.A N VAL 118.A O no hydrogen 2.907 N/A TYR 123.A N GLN 119.A O no hydrogen 2.867 N/A TYR 123.A OH GLU 307.A OE2 no hydrogen 2.797 N/A GLN 124.A N PHE 120.A O no hydrogen 3.211 N/A GLN 124.A NE2 PHE 120.A O no hydrogen 3.193 N/A GLN 124.A NE2 CYS 153.A O no hydrogen 2.813 N/A ILE 125.A N LEU 121.A O no hydrogen 3.214 N/A LEU 126.A N ILE 122.A O no hydrogen 2.913 N/A ARG 127.A N TYR 123.A O no hydrogen 2.856 N/A ARG 127.A NE ASP 306.A O no hydrogen 2.731 N/A ARG 127.A NH1 GLU 72.A OE2 no hydrogen 3.473 N/A ARG 127.A NH1 ASP 306.A O no hydrogen 3.012 N/A ARG 127.A NH1 ASP 306.A OD1 no hydrogen 3.115 N/A ARG 127.A NH2 GLU 72.A OE2 no hydrogen 3.009 N/A ARG 127.A NH2 ASN 73.A OD1 no hydrogen 2.845 N/A GLY 128.A N GLN 124.A O no hydrogen 2.930 N/A LEU 129.A N ILE 125.A O no hydrogen 2.798 N/A LYS 130.A N LEU 126.A O no hydrogen 2.804 N/A LYS 130.A NZ GLU 307.A O no hydrogen 2.659 N/A TYR 131.A N ARG 127.A O no hydrogen 3.328 N/A TYR 131.A OH HIS 68.A O no hydrogen 3.335 N/A ILE 132.A N GLY 128.A O no hydrogen 2.850 N/A HIS 133.A N LEU 129.A O no hydrogen 2.692 N/A HIS 133.A NE2 ASP 195.A OD2 no hydrogen 2.898 N/A SER 134.A N LYS 130.A O no hydrogen 2.953 N/A SER 134.A OG TYR 131.A O no hydrogen 2.612 N/A ALA 135.A N ILE 132.A O no hydrogen 3.212 N/A ASP 136.A N HIS 133.A O no hydrogen 2.816 N/A ILE 137.A N ILE 132.A O no hydrogen 3.203 N/A HIS 139.A N ASP 195.A OD2 no hydrogen 2.867 N/A HIS 139.A NE2 LEU 158.A O no hydrogen 2.733 N/A ARG 140.A N ASP 195.A OD1 no hydrogen 2.876 N/A ASP 141.A N HIS 139.A ND1 no hydrogen 3.127 N/A LYS 143.A NZ ASP 141.A OD2 no hydrogen 3.515 N/A ASN 146.A N LYS 143.A O no hydrogen 2.940 N/A ASN 146.A ND2 ASP 141.A O no hydrogen 2.626 N/A LEU 147.A N PRO 144.A O no hydrogen 3.187 N/A ALA 148.A N LYS 156.A O no hydrogen 2.936 N/A VAL 149.A N ALA 102.A O no hydrogen 2.783 N/A ASN 150.A N GLU 154.A O no hydrogen 3.015 N/A ASN 150.A ND2 GLU 154.A OE1 no hydrogen 2.707 N/A ASP 152.A N ASN 150.A OD1 no hydrogen 2.815 N/A CYS 153.A N ASN 150.A O no hydrogen 2.838 N/A GLU 154.A N ASN 150.A OD1 no hydrogen 3.175 N/A LEU 155.A N GLN 124.A OE1 no hydrogen 2.846 N/A LYS 156.A N ALA 148.A O no hydrogen 2.787 N/A LYS 156.A NZ GLU 72.A O no hydrogen 2.929 N/A ILE 157.A N ASN 73.A O no hydrogen 2.857 N/A LEU 158.A N ASN 146.A O no hydrogen 2.714 N/A PHE 160.A N HIS 139.A NE2 no hydrogen 3.076 N/A THR 165.A N GLU 168.A OE1 no hydrogen 3.117 N/A MET 169.A N ASP 166.A O no hydrogen 3.213 N/A THR 170.A N ASP 167.A O no hydrogen 3.257 N/A THR 170.A OG1 ASP 166.A O no hydrogen 2.617 N/A THR 170.A OG1 ASP 167.A O no hydrogen 3.414 N/A THR 175.A OG1 GLU 168.A O no hydrogen 2.452 N/A ARG 176.A N VAL 173.A O no hydrogen 3.079 N/A ARG 176.A NE GLN 221.A OE1 no hydrogen 2.786 N/A ARG 176.A NH1 MET 169.A O no hydrogen 2.816 N/A ARG 176.A NH1 GLY 171.A O no hydrogen 2.676 N/A ARG 176.A NH2 GLY 171.A O no hydrogen 2.990 N/A ARG 176.A NH2 GLN 221.A OE1 no hydrogen 3.127 N/A TRP 177.A NE1 GLY 215.A O no hydrogen 2.969 N/A TYR 178.A OH GLU 205.A OE1 no hydrogen 2.602 N/A TYR 178.A OH GLU 205.A OE2 no hydrogen 3.269 N/A ARG 179.A N ARG 176.A O no hydrogen 3.150 N/A GLU 182.A N GLU 182.A OE2 no hydrogen 2.794 N/A ILE 183.A N ALA 180.A O no hydrogen 3.211 N/A MET 184.A N ALA 180.A O no hydrogen 2.998 N/A LEU 185.A N PRO 181.A O no hydrogen 3.100 N/A ASN 186.A N ILE 183.A O no hydrogen 3.438 N/A TRP 187.A N GLU 182.A O no hydrogen 2.761 N/A THR 193.A N ASN 191.A OD1 no hydrogen 2.835 N/A THR 193.A OG1 ASN 191.A OD1 no hydrogen 2.352 N/A THR 193.A OG1 SER 283.A O no hydrogen 3.157 N/A VAL 194.A N ASN 191.A O no hydrogen 3.248 N/A ASP 195.A N GLN 192.A O no hydrogen 3.141 N/A TRP 197.A N THR 193.A O no hydrogen 3.177 N/A SER 198.A N VAL 194.A O no hydrogen 3.278 N/A SER 198.A OG TYR 178.A O no hydrogen 2.687 N/A SER 198.A OG VAL 194.A O no hydrogen 3.325 N/A VAL 199.A N ASP 195.A O no hydrogen 2.943 N/A GLY 200.A N ILE 196.A O no hydrogen 3.007 N/A CYS 201.A N TRP 197.A O no hydrogen 3.124 N/A CYS 201.A SG TRP 177.A O no hydrogen 3.993 N/A CYS 201.A SG TRP 197.A O no hydrogen 3.424 N/A ILE 202.A N SER 198.A O no hydrogen 2.973 N/A MET 203.A N VAL 199.A O no hydrogen 2.728 N/A ALA 204.A N GLY 200.A O no hydrogen 2.982 N/A GLU 205.A N CYS 201.A O no hydrogen 3.130 N/A LEU 206.A N ILE 202.A O no hydrogen 2.914 N/A LEU 207.A N MET 203.A O no hydrogen 3.000 N/A THR 208.A N ALA 204.A O no hydrogen 2.939 N/A THR 208.A OG1 ALA 204.A O no hydrogen 3.128 N/A GLY 209.A N GLU 205.A O no hydrogen 2.679 N/A ARG 210.A N THR 208.A OG1 no hydrogen 3.015 N/A GLY 215.A N PHE 213.A O no hydrogen 2.847 N/A THR 216.A N ASP 220.A OD1 no hydrogen 2.871 N/A ASP 220.A N ASP 217.A OD1 no hydrogen 2.812 N/A GLN 221.A N ASP 217.A O no hydrogen 2.866 N/A GLN 221.A NE2 ARG 176.A O no hydrogen 2.824 N/A LEU 222.A N HIS 218.A O no hydrogen 3.075 N/A LYS 223.A N ILE 219.A O no hydrogen 3.107 N/A LEU 224.A N ASP 220.A O no hydrogen 3.057 N/A ILE 225.A N GLN 221.A O no hydrogen 2.886 N/A LEU 226.A N LEU 222.A O no hydrogen 2.749 N/A ARG 227.A N LYS 223.A O no hydrogen 2.929 N/A LEU 228.A N LEU 224.A O no hydrogen 3.397 N/A VAL 229.A N ILE 225.A O no hydrogen 2.960 N/A GLY 230.A N LEU 226.A O no hydrogen 2.802 N/A THR 231.A N MET 255.A O no hydrogen 3.072 N/A THR 231.A OG1 MET 255.A O no hydrogen 3.375 N/A LEU 237.A N GLY 233.A O no hydrogen 3.061 N/A LYS 238.A N ALA 234.A O no hydrogen 3.078 N/A LYS 239.A N LEU 236.A O no hydrogen 2.808 N/A LYS 239.A NZ ASP 282.A OD1 no hydrogen 2.694 N/A LYS 239.A NZ ASP 282.A OD2 no hydrogen 3.198 N/A LYS 239.A NZ ASP 284.A OD1 no hydrogen 2.614 N/A ILE 240.A N LEU 236.A O no hydrogen 3.267 N/A ILE 240.A N LEU 237.A O no hydrogen 3.236 N/A SER 241.A OG TRP 187.A O no hydrogen 3.360 N/A SER 242.A N TRP 187.A O no hydrogen 3.420 N/A ARG 246.A N SER 242.A O no hydrogen 3.024 N/A ASN 247.A N GLU 243.A O no hydrogen 2.988 N/A TYR 248.A N SER 244.A O no hydrogen 3.068 N/A ILE 249.A N ALA 245.A O no hydrogen 2.959 N/A GLN 250.A N ARG 246.A O no hydrogen 3.151 N/A SER 251.A N TYR 248.A O no hydrogen 2.858 N/A SER 251.A OG TYR 248.A O no hydrogen 2.520 N/A LEU 252.A N ILE 249.A O no hydrogen 3.195 N/A MET 255.A N THR 231.A OG1 no hydrogen 3.096 N/A LYS 257.A NZ MET 258.A O no hydrogen 2.635 N/A LYS 257.A NZ GLU 276.A OE2 no hydrogen 2.963 N/A MET 258.A N LEU 228.A O no hydrogen 2.890 N/A ALA 261.A N ASN 259.A OD1 no hydrogen 2.854 N/A ASN 262.A N ASN 259.A O no hydrogen 3.046 N/A ASN 262.A N ASN 259.A OD1 no hydrogen 3.394 N/A VAL 263.A N ASN 259.A O no hydrogen 3.242 N/A VAL 263.A N PHE 260.A O no hydrogen 3.055 N/A PHE 264.A N PHE 260.A O no hydrogen 2.794 N/A ALA 267.A N PHE 264.A O no hydrogen 3.166 N/A ASN 268.A ND2 ASP 115.A OD2 no hydrogen 2.765 N/A LEU 270.A N ASN 268.A OD1 no hydrogen 2.869 N/A VAL 272.A N ASN 268.A O no hydrogen 3.076 N/A ASP 273.A N PRO 269.A O no hydrogen 3.080 N/A LEU 274.A N LEU 270.A O no hydrogen 2.984 N/A LEU 275.A N ALA 271.A O no hydrogen 2.846 N/A GLU 276.A N VAL 272.A O no hydrogen 3.051 N/A LYS 277.A N ASP 273.A O no hydrogen 3.204 N/A MET 278.A N LEU 274.A O no hydrogen 2.928 N/A MET 278.A N LEU 275.A O no hydrogen 3.278 N/A LEU 279.A N LEU 275.A O no hydrogen 2.863 N/A ASP 284.A N ASP 282.A OD2 no hydrogen 3.144 N/A LYS 285.A N ASP 282.A O no hydrogen 3.031 N/A LYS 285.A NZ GLU 235.A OE2 no hydrogen 2.708 N/A ARG 286.A NE VAL 280.A O no hydrogen 2.852 N/A ARG 286.A NH1 GLU 182.A OE2 no hydrogen 2.921 N/A ARG 286.A NH1 VAL 280.A O no hydrogen 3.228 N/A ARG 286.A NH1 LEU 281.A O no hydrogen 3.038 N/A ARG 286.A NH2 GLU 182.A OE1 no hydrogen 2.729 N/A ARG 286.A NH2 THR 193.A O no hydrogen 3.139 N/A ILE 287.A N LYS 277.A O no hydrogen 2.990 N/A THR 288.A N GLN 291.A OE1 no hydrogen 3.131 N/A GLN 291.A N THR 288.A OG1 no hydrogen 3.174 N/A ALA 292.A N THR 288.A O no hydrogen 2.812 N/A LEU 293.A N ALA 289.A O no hydrogen 3.053 N/A ALA 294.A N GLN 291.A O no hydrogen 3.070 N/A HIS 295.A N ALA 292.A O no hydrogen 3.022 N/A HIS 295.A NE2 ASP 273.A OD2 no hydrogen 2.703 N/A TYR 297.A N HIS 295.A ND1 no hydrogen 3.182 N/A TYR 297.A OH ASP 115.A OD1 no hydrogen 2.790 N/A PHE 298.A N HIS 295.A O no hydrogen 2.984 N/A ALA 299.A N ALA 296.A O no hydrogen 3.018 N/A GLN 300.A NE2 GLN 119.A OE1 no hydrogen 2.886 N/A TYR 301.A N PHE 298.A O no hydrogen 2.802 N/A TYR 301.A OH ASP 116.A OD1 no hydrogen 2.953 N/A HIS 302.A N PHE 298.A O no hydrogen 2.808 N/A ASP 303.A N GLU 307.A OE2 no hydrogen 3.232 N/A ASP 305.A N ASP 303.A OD2 no hydrogen 2.977 N/A ASP 306.A N ASP 303.A O no hydrogen 2.823 N/A ALA 310.A N SER 134.A OG no hydrogen 2.787 N/A SER 316.A N ASP 314.A OD1 no hydrogen 3.093 N/A SER 316.A OG ASP 314.A OD1 no hydrogen 2.736 N/A GLU 318.A N GLN 315.A O no hydrogen 3.186 N/A SER 319.A N SER 316.A O no hydrogen 3.172 N/A SER 319.A OG SER 316.A O no hydrogen 3.089 N/A ARG 320.A N PHE 317.A O no hydrogen 2.972 N/A LEU 323.A N GLU 326.A OE1 no hydrogen 2.978 N/A GLU 326.A N LEU 323.A O no hydrogen 3.141 N/A TRP 327.A N LEU 323.A O no hydrogen 3.149 N/A LYS 328.A N ILE 324.A O no hydrogen 2.879 N/A LYS 328.A NZ PHE 90.A O no hydrogen 2.981 N/A SER 329.A N ASP 325.A O no hydrogen 2.894 N/A LEU 330.A N GLU 326.A O no hydrogen 3.008 N/A THR 331.A N TRP 327.A O no hydrogen 2.887 N/A THR 331.A OG1 TRP 327.A O no hydrogen 2.888 N/A TYR 332.A N LYS 328.A O no hydrogen 2.874 N/A ASP 333.A N SER 329.A O no hydrogen 3.053 N/A GLU 334.A N LEU 330.A O no hydrogen 3.238 N/A VAL 335.A N THR 331.A O no hydrogen 3.009 N/A ILE 336.A N TYR 332.A O no hydrogen 2.970 N/A SER 337.A N ASP 333.A O no hydrogen 2.924 N/A SER 337.A OG ASP 333.A O no hydrogen 2.743 N/A SER 337.A OG GLU 334.A O no hydrogen 3.120 N/A PHE 338.A N VAL 335.A O no hydrogen 3.189 N/A