Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3heg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 GLU 18.A OE2 no hydrogen 3.235 N/A TYR 5.A N VAL 16.A O no hydrogen 3.066 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.411 N/A ARG 6.A NE GLU 15.A OE1 no hydrogen 3.464 N/A GLN 7.A N TRP 14.A O no hydrogen 2.999 N/A LEU 9.A N THR 12.A O no hydrogen 2.787 N/A TRP 14.A N GLN 7.A O no hydrogen 2.776 N/A GLU 15.A N TYR 95.A OH no hydrogen 2.977 N/A VAL 16.A N TYR 5.A O no hydrogen 3.393 N/A GLU 18.A N THR 3.A O no hydrogen 2.905 N/A ARG 19.A NE ASP 35.A OD1 no hydrogen 2.830 N/A ARG 19.A NH2 ASP 35.A OD2 no hydrogen 3.094 N/A TYR 20.A N PRO 17.A O no hydrogen 3.132 N/A TYR 20.A OH ASP 80.A OD1 no hydrogen 2.492 N/A GLN 21.A N PHE 34.A O no hydrogen 2.915 N/A GLN 21.A NE2 TYR 5.A OH no hydrogen 3.540 N/A SER 24.A N ALA 32.A O no hydrogen 3.010 N/A VAL 26.A N VAL 30.A O no hydrogen 2.978 N/A CYS 31.A N VAL 44.A O no hydrogen 2.908 N/A ALA 32.A N SER 24.A O no hydrogen 2.914 N/A ALA 33.A N VAL 42.A O no hydrogen 2.826 N/A PHE 34.A N GLN 21.A O no hydrogen 2.792 N/A ASP 35.A N LEU 40.A O no hydrogen 2.745 N/A THR 36.A N ARG 19.A O no hydrogen 2.802 N/A THR 36.A OG1 ARG 19.A O no hydrogen 3.105 N/A LYS 37.A N ASP 35.A OD1 no hydrogen 3.033 N/A THR 38.A N ASP 35.A O no hydrogen 3.291 N/A THR 38.A OG1 ASP 35.A O no hydrogen 3.506 N/A GLY 39.A N ASP 35.A O no hydrogen 2.843 N/A LEU 40.A N THR 38.A OG1 no hydrogen 3.308 N/A VAL 42.A N ALA 33.A O no hydrogen 2.795 N/A ALA 43.A N THR 98.A O no hydrogen 2.763 N/A VAL 44.A N CYS 31.A O no hydrogen 2.878 N/A LYS 45.A N LEU 96.A O no hydrogen 2.742 N/A LYS 45.A NZ GLU 63.A OE1 no hydrogen 3.008 N/A LYS 46.A N SER 29.A O no hydrogen 2.912 N/A LYS 46.A NZ ILE 13.A O no hydrogen 3.265 N/A LEU 47.A N VAL 94.A O no hydrogen 3.341 N/A GLN 52.A N ARG 49.A O no hydrogen 3.458 N/A HIS 56.A N SER 53.A OG no hydrogen 3.099 N/A ALA 57.A N SER 53.A O no hydrogen 2.940 N/A LYS 58.A N ILE 54.A O no hydrogen 2.853 N/A LYS 58.A NZ GLU 309.A O no hydrogen 2.667 N/A LYS 58.A NZ ARG 311.A O no hydrogen 2.992 N/A ARG 59.A N ILE 55.A O no hydrogen 2.952 N/A THR 60.A N HIS 56.A O no hydrogen 2.986 N/A THR 60.A OG1 PRO 50.A O no hydrogen 2.873 N/A THR 60.A OG1 HIS 56.A O no hydrogen 2.778 N/A TYR 61.A N ALA 57.A O no hydrogen 3.118 N/A ARG 62.A N LYS 58.A O no hydrogen 2.913 N/A ARG 62.A NE GLU 309.A OE1 no hydrogen 3.473 N/A ARG 62.A NE GLU 309.A OE2 no hydrogen 2.978 N/A ARG 62.A NH2 GLU 309.A OE1 no hydrogen 2.894 N/A GLU 63.A N ARG 59.A O no hydrogen 2.999 N/A LEU 64.A N THR 60.A O no hydrogen 3.001 N/A ARG 65.A N TYR 61.A O no hydrogen 2.804 N/A ARG 65.A NH1 TYR 61.A OH no hydrogen 3.028 N/A ARG 65.A NH2 ASP 305.A O no hydrogen 2.495 N/A LEU 66.A N ARG 62.A O no hydrogen 3.039 N/A LEU 67.A N GLU 63.A O no hydrogen 2.933 N/A LYS 68.A N LEU 64.A O no hydrogen 3.110 N/A LYS 68.A NZ GLU 325.A O no hydrogen 2.655 N/A LYS 68.A NZ GLU 325.A OE1 no hydrogen 2.507 N/A LYS 68.A NZ SER 328.A OG no hydrogen 2.958 N/A HIS 69.A N LEU 66.A O no hydrogen 2.969 N/A HIS 69.A NE2 ASP 302.A O no hydrogen 2.736 N/A MET 70.A N LEU 66.A O no hydrogen 3.135 N/A LYS 71.A N TYR 132.A OH no hydrogen 2.855 N/A ASN 74.A ND2 LEU 156.A O no hydrogen 3.044 N/A VAL 75.A N HIS 72.A O no hydrogen 3.268 N/A ILE 76.A N ILE 158.A O no hydrogen 2.827 N/A LEU 79.A N VAL 97.A O no hydrogen 2.640 N/A ASP 80.A N VAL 97.A O no hydrogen 3.171 N/A PHE 82.A N TYR 95.A O no hydrogen 3.046 N/A THR 83.A OG1 ASP 93.A O no hydrogen 2.894 N/A ALA 85.A N THR 83.A OG1 no hydrogen 2.931 N/A ARG 86.A NE ARG 86.A O no hydrogen 3.002 N/A GLU 90.A N SER 87.A OG no hydrogen 3.214 N/A PHE 91.A N LEU 88.A O no hydrogen 3.067 N/A TYR 95.A N PHE 82.A O no hydrogen 2.826 N/A LEU 96.A N LYS 45.A O no hydrogen 2.762 N/A VAL 97.A N ASP 80.A O no hydrogen 2.758 N/A THR 98.A N ALA 43.A O no hydrogen 2.785 N/A THR 98.A OG1 GLY 77.A O no hydrogen 3.456 N/A ASP 104.A N ASN 107.A OD1 no hydrogen 3.019 N/A LEU 105.A N LEU 148.A O no hydrogen 2.876 N/A ASN 107.A N ASP 104.A OD2 no hydrogen 2.875 N/A ILE 108.A N ASP 104.A O no hydrogen 3.052 N/A VAL 109.A N LEU 105.A O no hydrogen 3.129 N/A LYS 110.A N ASN 106.A O no hydrogen 2.826 N/A CYS 111.A SG ASN 107.A O no hydrogen 2.694 N/A GLN 112.A N ILE 108.A O no hydrogen 3.408 N/A VAL 119.A N THR 115.A O no hydrogen 3.168 N/A GLN 120.A N ASP 116.A O no hydrogen 3.073 N/A GLN 120.A NE2 ASP 116.A OD2 no hydrogen 2.428 N/A PHE 121.A N ASP 117.A O no hydrogen 2.992 N/A LEU 122.A N HIS 118.A O no hydrogen 2.843 N/A ILE 123.A N VAL 119.A O no hydrogen 2.983 N/A TYR 124.A N GLN 120.A O no hydrogen 2.851 N/A TYR 124.A OH GLU 298.A OE1 no hydrogen 2.346 N/A GLN 125.A N PHE 121.A O no hydrogen 3.095 N/A GLN 125.A NE2 PHE 121.A O no hydrogen 3.252 N/A GLN 125.A NE2 CYS 154.A O no hydrogen 2.946 N/A ILE 126.A N LEU 122.A O no hydrogen 3.145 N/A LEU 127.A N ILE 123.A O no hydrogen 3.031 N/A ARG 128.A N TYR 124.A O no hydrogen 2.930 N/A ARG 128.A NE ASP 297.A O no hydrogen 2.678 N/A ARG 128.A NH1 ASN 74.A OD1 no hydrogen 2.836 N/A ARG 128.A NH2 GLU 73.A OE2 no hydrogen 3.491 N/A ARG 128.A NH2 ASP 297.A O no hydrogen 3.221 N/A GLY 129.A N GLN 125.A O no hydrogen 3.039 N/A LEU 130.A N ILE 126.A O no hydrogen 2.880 N/A LYS 131.A N LEU 127.A O no hydrogen 2.763 N/A LYS 131.A NZ GLU 298.A O no hydrogen 2.780 N/A TYR 132.A N ARG 128.A O no hydrogen 3.367 N/A TYR 132.A OH HIS 69.A O no hydrogen 2.987 N/A ILE 133.A N GLY 129.A O no hydrogen 3.049 N/A HIS 134.A N LEU 130.A O no hydrogen 2.825 N/A HIS 134.A NE2 ASP 186.A OD1 no hydrogen 2.789 N/A SER 135.A N LYS 131.A O no hydrogen 3.209 N/A SER 135.A N TYR 132.A O no hydrogen 3.304 N/A SER 135.A OG TYR 132.A O no hydrogen 2.631 N/A ALA 136.A N ILE 133.A O no hydrogen 3.034 N/A ASP 137.A N HIS 134.A O no hydrogen 3.002 N/A ILE 138.A N ILE 133.A O no hydrogen 3.320 N/A HIS 140.A N ASP 186.A OD1 no hydrogen 2.809 N/A ARG 141.A N ASP 186.A OD2 no hydrogen 2.783 N/A LYS 144.A NZ ASP 142.A OD1 no hydrogen 3.336 N/A LYS 144.A NZ THR 166.A OG1 no hydrogen 2.731 N/A ASN 147.A N LYS 144.A O no hydrogen 2.863 N/A LEU 148.A N PRO 145.A O no hydrogen 3.376 N/A ALA 149.A N LYS 157.A O no hydrogen 2.862 N/A VAL 150.A N ALA 103.A O no hydrogen 3.034 N/A ASN 151.A N GLU 155.A O no hydrogen 2.946 N/A ASN 151.A ND2 GLU 155.A OE2 no hydrogen 2.851 N/A CYS 154.A N ASN 151.A O no hydrogen 2.926 N/A GLU 155.A N ASN 151.A OD1 no hydrogen 2.893 N/A LEU 156.A N GLN 125.A OE1 no hydrogen 2.953 N/A LYS 157.A N ALA 149.A O no hydrogen 2.779 N/A ILE 158.A N ASN 74.A O no hydrogen 2.880 N/A LEU 159.A N ASN 147.A O no hydrogen 3.071 N/A THR 166.A OG1 ASP 142.A OD1 no hydrogen 2.987 N/A THR 166.A OG1 ASP 142.A OD2 no hydrogen 2.598 N/A ARG 167.A NE GLY 206.A O no hydrogen 3.538 N/A TRP 168.A N ALA 165.A O no hydrogen 3.344 N/A TRP 168.A NE1 GLY 206.A O no hydrogen 2.892 N/A TYR 169.A N THR 166.A O no hydrogen 3.225 N/A TYR 169.A OH GLU 196.A OE1 no hydrogen 2.829 N/A ARG 170.A N ARG 167.A O no hydrogen 2.951 N/A GLU 173.A N GLU 173.A OE2 no hydrogen 3.121 N/A ILE 174.A N ALA 171.A O no hydrogen 3.133 N/A MET 175.A N PRO 172.A O no hydrogen 3.076 N/A LEU 176.A N PRO 172.A O no hydrogen 3.415 N/A ASN 182.A ND2 THR 184.A OG1 no hydrogen 3.157 N/A ASN 182.A ND2 SER 274.A O no hydrogen 3.631 N/A GLN 183.A NE2 HIS 134.A O no hydrogen 2.651 N/A THR 184.A OG1 ASN 182.A OD1 no hydrogen 3.035 N/A THR 184.A OG1 SER 274.A O no hydrogen 2.862 N/A VAL 185.A N ASN 182.A O no hydrogen 3.388 N/A ASP 186.A N GLN 183.A O no hydrogen 3.004 N/A TRP 188.A N THR 184.A O no hydrogen 3.320 N/A SER 189.A OG TYR 169.A O no hydrogen 2.997 N/A SER 189.A OG VAL 185.A O no hydrogen 3.097 N/A VAL 190.A N ASP 186.A O no hydrogen 3.073 N/A GLY 191.A N ILE 187.A O no hydrogen 2.803 N/A CYS 192.A N TRP 188.A O no hydrogen 2.892 N/A CYS 192.A SG TRP 168.A O no hydrogen 3.878 N/A CYS 192.A SG TRP 188.A O no hydrogen 3.198 N/A ILE 193.A N SER 189.A O no hydrogen 2.821 N/A MET 194.A N VAL 190.A O no hydrogen 2.694 N/A ALA 195.A N GLY 191.A O no hydrogen 2.992 N/A GLU 196.A N CYS 192.A O no hydrogen 3.315 N/A LEU 197.A N ILE 193.A O no hydrogen 2.893 N/A LEU 198.A N MET 194.A O no hydrogen 3.114 N/A LEU 198.A N ALA 195.A O no hydrogen 3.036 N/A THR 199.A N ALA 195.A O no hydrogen 2.876 N/A GLY 200.A N GLU 196.A O no hydrogen 2.880 N/A GLY 206.A N PHE 204.A O no hydrogen 2.718 N/A THR 207.A N ASP 211.A OD1 no hydrogen 2.770 N/A ASP 211.A N ASP 208.A OD1 no hydrogen 3.230 N/A GLN 212.A N ASP 208.A O no hydrogen 2.824 N/A GLN 212.A NE2 PHE 204.A O no hydrogen 2.886 N/A LEU 213.A N HIS 209.A O no hydrogen 3.328 N/A LEU 213.A N ILE 210.A O no hydrogen 3.057 N/A LYS 214.A N ILE 210.A O no hydrogen 3.000 N/A LEU 215.A N ASP 211.A O no hydrogen 3.141 N/A ILE 216.A N GLN 212.A O no hydrogen 3.075 N/A LEU 217.A N LEU 213.A O no hydrogen 3.117 N/A ARG 218.A N LYS 214.A O no hydrogen 3.377 N/A VAL 220.A N ILE 216.A O no hydrogen 3.392 N/A GLY 221.A N LEU 217.A O no hydrogen 2.671 N/A THR 222.A N MET 246.A O no hydrogen 3.277 N/A LEU 227.A N GLY 224.A O no hydrogen 3.156 N/A LEU 228.A N GLY 224.A O no hydrogen 2.955 N/A LYS 229.A N ALA 225.A O no hydrogen 2.916 N/A LYS 230.A N LEU 227.A O no hydrogen 3.091 N/A LYS 230.A NZ GLU 226.A OE2 no hydrogen 3.441 N/A LYS 230.A NZ ASP 273.A OD2 no hydrogen 3.283 N/A LYS 230.A NZ ASP 275.A OD1 no hydrogen 3.001 N/A ILE 231.A N LEU 228.A O no hydrogen 3.415 N/A ARG 237.A N SER 233.A O no hydrogen 3.143 N/A ARG 237.A NH1 ILE 231.A O no hydrogen 2.593 N/A ARG 237.A NH1 SER 232.A O no hydrogen 2.616 N/A ARG 237.A NH2 GLU 234.A OE2 no hydrogen 3.357 N/A ASN 238.A N GLU 234.A O no hydrogen 3.137 N/A TYR 239.A N ALA 236.A O no hydrogen 3.223 N/A GLN 241.A N ARG 237.A O no hydrogen 3.126 N/A SER 242.A OG ASN 238.A O no hydrogen 3.076 N/A MET 246.A N THR 222.A OG1 no hydrogen 3.035 N/A MET 249.A N LEU 219.A O no hydrogen 2.858 N/A VAL 254.A N ASN 250.A O no hydrogen 3.165 N/A PHE 255.A N PHE 251.A O no hydrogen 2.712 N/A ALA 258.A N PHE 255.A O no hydrogen 3.140 N/A LEU 261.A N ASN 259.A OD1 no hydrogen 2.798 N/A ALA 262.A N ASN 259.A O no hydrogen 2.958 N/A VAL 263.A N ASN 259.A O no hydrogen 3.076 N/A ASP 264.A N PRO 260.A O no hydrogen 2.995 N/A LEU 265.A N LEU 261.A O no hydrogen 3.270 N/A LEU 266.A N ALA 262.A O no hydrogen 3.146 N/A GLU 267.A N VAL 263.A O no hydrogen 3.132 N/A LYS 268.A N ASP 264.A O no hydrogen 3.146 N/A LYS 268.A NZ ASP 264.A OD1 no hydrogen 2.993 N/A LYS 268.A NZ ASP 264.A OD2 no hydrogen 2.754 N/A MET 269.A N LEU 266.A O no hydrogen 2.708 N/A LEU 270.A N LEU 266.A O no hydrogen 2.876 N/A LYS 276.A N ASP 273.A O no hydrogen 2.768 N/A LYS 276.A NZ GLU 226.A OE1 no hydrogen 3.124 N/A LYS 276.A NZ GLU 226.A OE2 no hydrogen 3.029 N/A ARG 277.A NE THR 184.A O no hydrogen 3.363 N/A ARG 277.A NH1 GLU 173.A OE2 no hydrogen 3.307 N/A ARG 277.A NH1 VAL 271.A O no hydrogen 2.864 N/A ARG 277.A NH2 GLU 173.A OE2 no hydrogen 3.150 N/A ARG 277.A NH2 THR 184.A O no hydrogen 3.155 N/A ILE 278.A N LYS 268.A O no hydrogen 3.020 N/A THR 279.A N GLN 282.A OE1 no hydrogen 3.226 N/A GLN 282.A N THR 279.A OG1 no hydrogen 3.208 N/A ALA 283.A N THR 279.A O no hydrogen 2.855 N/A LEU 284.A N ALA 280.A O no hydrogen 3.157 N/A ALA 285.A N GLN 282.A O no hydrogen 3.174 N/A HIS 286.A N ALA 283.A O no hydrogen 3.112 N/A HIS 286.A NE2 ASP 264.A OD2 no hydrogen 2.759 N/A TYR 288.A N HIS 286.A ND1 no hydrogen 2.989 N/A TYR 288.A OH ASP 116.A OD1 no hydrogen 2.843 N/A PHE 289.A N HIS 286.A O no hydrogen 2.839 N/A ALA 290.A N ALA 287.A O no hydrogen 3.274 N/A TYR 292.A N PHE 289.A O no hydrogen 2.889 N/A TYR 292.A OH ASP 117.A OD2 no hydrogen 2.587 N/A HIS 293.A N PHE 289.A O no hydrogen 2.776 N/A HIS 293.A ND1 GLU 298.A OE1 no hydrogen 2.746 N/A ASP 294.A N GLU 298.A OE1 no hydrogen 3.287 N/A ASP 296.A N ASP 294.A OD1 no hydrogen 2.914 N/A ASP 297.A N ASP 294.A O no hydrogen 2.891 N/A ALA 301.A N SER 135.A OG no hydrogen 2.973 N/A GLN 306.A NE2 ASP 137.A O no hydrogen 3.230 N/A SER 307.A N ASP 305.A OD2 no hydrogen 3.286 N/A SER 307.A OG ASP 305.A OD2 no hydrogen 2.719 N/A GLU 309.A N GLN 306.A O no hydrogen 3.114 N/A SER 310.A N SER 307.A O no hydrogen 2.888 N/A SER 310.A OG SER 307.A O no hydrogen 2.659 N/A ARG 311.A N PHE 308.A O no hydrogen 2.934 N/A LEU 314.A N GLU 317.A OE1 no hydrogen 2.983 N/A TRP 318.A N LEU 314.A O no hydrogen 3.059 N/A LYS 319.A N ILE 315.A O no hydrogen 2.828 N/A LYS 319.A NZ PHE 91.A O no hydrogen 2.690 N/A SER 320.A N ASP 316.A O no hydrogen 2.897 N/A LEU 321.A N GLU 317.A O no hydrogen 2.991 N/A THR 322.A N TRP 318.A O no hydrogen 3.014 N/A THR 322.A OG1 TRP 318.A O no hydrogen 3.022 N/A TYR 323.A N LYS 319.A O no hydrogen 2.957 N/A ASP 324.A N SER 320.A O no hydrogen 2.875 N/A GLU 325.A N LEU 321.A O no hydrogen 3.147 N/A VAL 326.A N THR 322.A O no hydrogen 2.859 N/A ILE 327.A N TYR 323.A O no hydrogen 3.001 N/A SER 328.A N ASP 324.A O no hydrogen 2.807 N/A SER 328.A OG ASP 324.A O no hydrogen 3.243 N/A SER 328.A OG GLU 325.A O no hydrogen 3.492 N/A