Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hec_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH2 PRO 83.A O no hydrogen 2.435 N/A THR 3.A OG1 GLU 18.A OE1 no hydrogen 3.082 N/A TYR 5.A N VAL 16.A O no hydrogen 2.956 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.769 N/A GLN 7.A N TRP 14.A O no hydrogen 2.919 N/A LEU 9.A N THR 12.A O no hydrogen 2.619 N/A THR 12.A OG1 ASN 10.A O no hydrogen 3.312 N/A TRP 14.A N GLN 7.A O no hydrogen 2.759 N/A GLU 15.A N TYR 94.A OH no hydrogen 2.975 N/A VAL 16.A N TYR 5.A O no hydrogen 3.264 N/A GLU 18.A N THR 3.A O no hydrogen 3.043 N/A ARG 19.A NE ASP 34.A OD1 no hydrogen 2.677 N/A ARG 19.A NH2 ASP 34.A OD1 no hydrogen 3.275 N/A ARG 19.A NH2 ASP 34.A OD2 no hydrogen 2.693 N/A TYR 20.A N PRO 17.A O no hydrogen 3.122 N/A TYR 20.A OH ASP 79.A OD1 no hydrogen 2.657 N/A GLN 21.A N PHE 33.A O no hydrogen 3.039 N/A SER 24.A N ALA 31.A O no hydrogen 2.738 N/A VAL 26.A N VAL 29.A O no hydrogen 2.838 N/A GLY 27.A N VAL 29.A O no hydrogen 3.326 N/A SER 28.A OG LYS 45.A O no hydrogen 2.796 N/A CYS 30.A N VAL 43.A O no hydrogen 2.895 N/A ALA 31.A N SER 24.A O no hydrogen 2.702 N/A ALA 32.A N VAL 41.A O no hydrogen 2.921 N/A PHE 33.A N GLN 21.A O no hydrogen 2.812 N/A ASP 34.A N LEU 39.A O no hydrogen 2.949 N/A THR 35.A N ARG 19.A O no hydrogen 3.150 N/A THR 35.A OG1 ARG 19.A O no hydrogen 2.662 N/A LYS 36.A N ASP 34.A OD1 no hydrogen 2.934 N/A THR 37.A N ASP 34.A O no hydrogen 3.276 N/A THR 37.A OG1 ASP 34.A OD2 no hydrogen 3.419 N/A LEU 39.A N THR 37.A OG1 no hydrogen 3.213 N/A VAL 41.A N ALA 32.A O no hydrogen 2.693 N/A ALA 42.A N THR 97.A O no hydrogen 2.791 N/A VAL 43.A N CYS 30.A O no hydrogen 2.706 N/A LYS 44.A N LEU 95.A O no hydrogen 2.763 N/A LYS 44.A NZ GLU 62.A OE1 no hydrogen 3.214 N/A LYS 44.A NZ GLU 62.A OE2 no hydrogen 3.322 N/A LYS 45.A N SER 28.A O no hydrogen 3.131 N/A LYS 45.A NZ ILE 13.A O no hydrogen 2.788 N/A LEU 46.A N VAL 93.A O no hydrogen 3.159 N/A GLN 51.A N ARG 48.A O no hydrogen 3.351 N/A HIS 55.A N SER 52.A OG no hydrogen 3.328 N/A ALA 56.A N SER 52.A O no hydrogen 2.897 N/A LYS 57.A N ILE 53.A O no hydrogen 2.952 N/A LYS 57.A NZ GLU 305.A O no hydrogen 2.727 N/A LYS 57.A NZ ARG 307.A O no hydrogen 3.016 N/A ARG 58.A N ILE 54.A O no hydrogen 3.094 N/A THR 59.A N HIS 55.A O no hydrogen 2.963 N/A THR 59.A OG1 PRO 49.A O no hydrogen 3.014 N/A THR 59.A OG1 HIS 55.A O no hydrogen 2.933 N/A TYR 60.A N ALA 56.A O no hydrogen 2.987 N/A ARG 61.A N LYS 57.A O no hydrogen 2.641 N/A ARG 61.A NE GLU 305.A OE2 no hydrogen 2.752 N/A ARG 61.A NH2 GLU 305.A OE1 no hydrogen 2.693 N/A ARG 61.A NH2 GLU 305.A OE2 no hydrogen 3.462 N/A GLU 62.A N ARG 58.A O no hydrogen 2.884 N/A LEU 63.A N THR 59.A O no hydrogen 2.985 N/A ARG 64.A N TYR 60.A O no hydrogen 3.095 N/A ARG 64.A NH1 TYR 60.A OH no hydrogen 2.839 N/A ARG 64.A NH1 ASP 301.A O no hydrogen 3.535 N/A ARG 64.A NH2 ASP 301.A O no hydrogen 2.830 N/A LEU 65.A N ARG 61.A O no hydrogen 2.986 N/A LEU 66.A N GLU 62.A O no hydrogen 2.921 N/A LYS 67.A N LEU 63.A O no hydrogen 2.722 N/A LYS 67.A NZ GLU 321.A O no hydrogen 2.471 N/A LYS 67.A NZ GLU 321.A OE1 no hydrogen 2.842 N/A HIS 68.A N LEU 65.A O no hydrogen 3.014 N/A HIS 68.A NE2 ASP 298.A O no hydrogen 3.030 N/A MET 69.A N LEU 65.A O no hydrogen 3.149 N/A LYS 70.A N TYR 131.A OH no hydrogen 3.023 N/A ASN 73.A ND2 GLN 124.A OE1 no hydrogen 3.268 N/A ASN 73.A ND2 LEU 155.A O no hydrogen 3.075 N/A VAL 74.A N HIS 71.A O no hydrogen 3.167 N/A ILE 75.A N ILE 157.A O no hydrogen 2.827 N/A LEU 78.A N VAL 96.A O no hydrogen 3.049 N/A ASP 79.A N VAL 96.A O no hydrogen 3.522 N/A PHE 81.A N TYR 94.A O no hydrogen 3.026 N/A THR 82.A OG1 ASP 92.A O no hydrogen 2.558 N/A ARG 85.A N GLU 89.A OE1 no hydrogen 3.481 N/A SER 86.A OG GLU 89.A OE2 no hydrogen 3.373 N/A GLU 88.A N GLU 88.A OE1 no hydrogen 2.577 N/A GLU 89.A N SER 86.A O no hydrogen 3.027 N/A PHE 90.A N SER 86.A O no hydrogen 3.058 N/A PHE 90.A N LEU 87.A O no hydrogen 3.184 N/A TYR 94.A N PHE 81.A O no hydrogen 3.080 N/A LEU 95.A N LYS 44.A O no hydrogen 2.889 N/A VAL 96.A N ASP 79.A O no hydrogen 2.732 N/A THR 97.A N ALA 42.A O no hydrogen 2.935 N/A THR 97.A OG1 HIS 98.A O no hydrogen 3.250 N/A LEU 99.A N ARG 40.A O no hydrogen 3.165 N/A ASP 103.A N ASN 106.A OD1 no hydrogen 3.213 N/A LEU 104.A N PRO 144.A O no hydrogen 3.151 N/A LEU 104.A N LEU 147.A O no hydrogen 2.819 N/A ASN 106.A N ASP 103.A OD2 no hydrogen 3.055 N/A ILE 107.A N ASP 103.A O no hydrogen 3.245 N/A VAL 108.A N LEU 104.A O no hydrogen 2.954 N/A LYS 109.A N ASN 105.A O no hydrogen 3.048 N/A CYS 110.A N ASN 106.A O no hydrogen 3.025 N/A GLN 111.A N ILE 107.A O no hydrogen 2.981 N/A VAL 118.A N THR 114.A O no hydrogen 3.075 N/A GLN 119.A N ASP 115.A O no hydrogen 2.969 N/A GLN 119.A NE2 ASP 115.A OD2 no hydrogen 3.140 N/A PHE 120.A N ASP 116.A O no hydrogen 3.211 N/A LEU 121.A N HIS 117.A O no hydrogen 2.884 N/A ILE 122.A N VAL 118.A O no hydrogen 2.965 N/A TYR 123.A N GLN 119.A O no hydrogen 3.064 N/A TYR 123.A OH GLU 294.A OE1 no hydrogen 2.408 N/A GLN 124.A N PHE 120.A O no hydrogen 3.098 N/A GLN 124.A NE2 PHE 120.A O no hydrogen 3.035 N/A GLN 124.A NE2 CYS 153.A O no hydrogen 2.848 N/A ILE 125.A N LEU 121.A O no hydrogen 3.221 N/A LEU 126.A N ILE 122.A O no hydrogen 3.020 N/A ARG 127.A N TYR 123.A O no hydrogen 2.964 N/A ARG 127.A NE ASP 293.A O no hydrogen 2.850 N/A ARG 127.A NH1 GLU 72.A OE2 no hydrogen 2.787 N/A ARG 127.A NH1 ASN 73.A OD1 no hydrogen 3.205 N/A ARG 127.A NH2 ASP 293.A O no hydrogen 2.629 N/A GLY 128.A N GLN 124.A O no hydrogen 2.747 N/A LEU 129.A N ILE 125.A O no hydrogen 2.757 N/A LYS 130.A N LEU 126.A O no hydrogen 2.773 N/A LYS 130.A NZ GLU 294.A O no hydrogen 2.754 N/A TYR 131.A N GLY 128.A O no hydrogen 3.129 N/A ILE 132.A N GLY 128.A O no hydrogen 3.030 N/A HIS 133.A N LEU 129.A O no hydrogen 2.863 N/A HIS 133.A NE2 ASP 182.A OD1 no hydrogen 2.729 N/A SER 134.A N LYS 130.A O no hydrogen 3.209 N/A SER 134.A OG TYR 131.A O no hydrogen 2.994 N/A ALA 135.A N ILE 132.A O no hydrogen 3.132 N/A ASP 136.A N HIS 133.A O no hydrogen 3.077 N/A ILE 137.A N ILE 132.A O no hydrogen 3.148 N/A HIS 139.A N ASP 182.A OD1 no hydrogen 2.667 N/A HIS 139.A NE2 LEU 158.A O no hydrogen 2.660 N/A ARG 140.A N ASP 182.A OD2 no hydrogen 2.851 N/A ASP 141.A N HIS 139.A ND1 no hydrogen 3.006 N/A LYS 143.A NZ THR 162.A OG1 no hydrogen 2.763 N/A ASN 146.A N LYS 143.A O no hydrogen 3.090 N/A LEU 147.A N PRO 144.A O no hydrogen 3.090 N/A ALA 148.A N LYS 156.A O no hydrogen 2.984 N/A VAL 149.A N ALA 102.A O no hydrogen 2.713 N/A ASN 150.A N GLU 154.A O no hydrogen 2.914 N/A ASN 150.A ND2 GLU 154.A OE2 no hydrogen 2.374 N/A ASP 152.A N ASN 150.A OD1 no hydrogen 2.750 N/A GLU 154.A N ASN 150.A OD1 no hydrogen 3.023 N/A LEU 155.A N GLN 124.A OE1 no hydrogen 2.856 N/A LYS 156.A N ALA 148.A O no hydrogen 2.703 N/A LYS 156.A NZ GLU 72.A O no hydrogen 3.127 N/A ILE 157.A N ASN 73.A O no hydrogen 2.712 N/A LEU 158.A N ASN 146.A O no hydrogen 2.989 N/A ARG 163.A NE GLY 202.A O no hydrogen 2.998 N/A ARG 163.A NH2 GLY 202.A O no hydrogen 2.952 N/A TYR 165.A N THR 162.A O no hydrogen 3.069 N/A TYR 165.A OH GLU 192.A OE1 no hydrogen 2.533 N/A TYR 165.A OH GLU 192.A OE2 no hydrogen 3.310 N/A ARG 166.A N ARG 163.A O no hydrogen 3.066 N/A GLU 169.A N GLU 169.A OE2 no hydrogen 2.614 N/A ILE 170.A N ALA 167.A O no hydrogen 3.272 N/A LEU 172.A N PRO 168.A O no hydrogen 2.932 N/A ASN 173.A N ILE 170.A O no hydrogen 3.089 N/A TRP 174.A N GLU 169.A O no hydrogen 3.234 N/A GLN 179.A NE2 HIS 133.A O no hydrogen 2.771 N/A THR 180.A N ASN 178.A OD1 no hydrogen 3.317 N/A THR 180.A OG1 ASN 178.A OD1 no hydrogen 2.531 N/A THR 180.A OG1 SER 270.A O no hydrogen 3.240 N/A VAL 181.A N ASN 178.A O no hydrogen 3.182 N/A ASP 182.A N GLN 179.A O no hydrogen 2.969 N/A ILE 183.A N THR 180.A O no hydrogen 3.205 N/A TRP 184.A N THR 180.A O no hydrogen 3.213 N/A SER 185.A N VAL 181.A O no hydrogen 3.471 N/A SER 185.A OG TYR 165.A O no hydrogen 2.803 N/A SER 185.A OG VAL 181.A O no hydrogen 3.279 N/A VAL 186.A N ASP 182.A O no hydrogen 3.073 N/A GLY 187.A N ILE 183.A O no hydrogen 2.990 N/A CYS 188.A N TRP 184.A O no hydrogen 2.974 N/A CYS 188.A SG TRP 164.A O no hydrogen 3.810 N/A CYS 188.A SG TRP 184.A O no hydrogen 3.571 N/A ILE 189.A N SER 185.A O no hydrogen 2.866 N/A ILE 189.A N VAL 186.A O no hydrogen 3.122 N/A MET 190.A N VAL 186.A O no hydrogen 2.779 N/A ALA 191.A N GLY 187.A O no hydrogen 3.048 N/A GLU 192.A N CYS 188.A O no hydrogen 3.380 N/A LEU 193.A N ILE 189.A O no hydrogen 2.931 N/A LEU 194.A N MET 190.A O no hydrogen 2.897 N/A LEU 194.A N ALA 191.A O no hydrogen 3.148 N/A THR 195.A N ALA 191.A O no hydrogen 2.879 N/A GLY 196.A N GLU 192.A O no hydrogen 2.766 N/A THR 198.A OG1 GLU 192.A OE1 no hydrogen 3.530 N/A THR 203.A N ASP 207.A OD1 no hydrogen 2.741 N/A THR 203.A OG1 ASP 204.A OD2 no hydrogen 3.290 N/A THR 203.A OG1 ASP 207.A OD1 no hydrogen 3.347 N/A ILE 206.A N ASP 204.A OD1 no hydrogen 2.864 N/A ASP 207.A N ASP 204.A OD1 no hydrogen 3.319 N/A GLN 208.A N ASP 204.A O no hydrogen 3.045 N/A GLN 208.A NE2 TRP 164.A O no hydrogen 3.097 N/A GLN 208.A NE2 PHE 200.A O no hydrogen 3.406 N/A LEU 209.A N HIS 205.A O no hydrogen 3.049 N/A LYS 210.A N ILE 206.A O no hydrogen 3.105 N/A LEU 211.A N ASP 207.A O no hydrogen 3.145 N/A ILE 212.A N GLN 208.A O no hydrogen 2.894 N/A LEU 213.A N LEU 209.A O no hydrogen 2.976 N/A ARG 214.A N LYS 210.A O no hydrogen 3.094 N/A LEU 215.A N LEU 211.A O no hydrogen 3.352 N/A LEU 215.A N ILE 212.A O no hydrogen 3.231 N/A VAL 216.A N ILE 212.A O no hydrogen 2.939 N/A GLY 217.A N LEU 213.A O no hydrogen 2.768 N/A LEU 223.A N GLY 220.A O no hydrogen 2.915 N/A LEU 224.A N GLY 220.A O no hydrogen 2.998 N/A LYS 225.A N ALA 221.A O no hydrogen 2.935 N/A LYS 226.A N LEU 223.A O no hydrogen 3.030 N/A LYS 226.A NZ ASP 269.A OD2 no hydrogen 3.318 N/A LYS 226.A NZ ASP 271.A OD1 no hydrogen 2.499 N/A ILE 227.A N LEU 224.A O no hydrogen 3.320 N/A GLU 230.A N GLU 230.A OE1 no hydrogen 2.749 N/A SER 231.A OG GLU 230.A OE2 no hydrogen 3.033 N/A ALA 232.A N SER 229.A OG no hydrogen 2.935 N/A ARG 233.A N SER 229.A O no hydrogen 2.857 N/A ARG 233.A NH1 ILE 227.A O no hydrogen 2.940 N/A ARG 233.A NH1 SER 228.A O no hydrogen 2.458 N/A ASN 234.A N GLU 230.A O no hydrogen 2.916 N/A TYR 235.A N SER 231.A O no hydrogen 2.961 N/A ILE 236.A N ALA 232.A O no hydrogen 2.889 N/A GLN 237.A N ARG 233.A O no hydrogen 3.298 N/A SER 238.A N ASN 234.A O no hydrogen 2.856 N/A LEU 239.A N.A ILE 236.A O no hydrogen 3.141 N/A LEU 239.A N.B ILE 236.A O no hydrogen 3.102 N/A THR 240.A OG1 GLN 237.A O no hydrogen 2.760 N/A VAL 250.A N PHE 247.A O no hydrogen 2.761 N/A ALA 254.A N PHE 251.A O no hydrogen 2.945 N/A ASN 255.A ND2 ASP 115.A OD2 no hydrogen 2.645 N/A LEU 257.A N ASN 255.A OD1 no hydrogen 2.882 N/A VAL 259.A N ASN 255.A O no hydrogen 3.107 N/A ASP 260.A N PRO 256.A O no hydrogen 3.083 N/A LEU 261.A N LEU 257.A O no hydrogen 2.703 N/A LEU 262.A N ALA 258.A O no hydrogen 2.922 N/A GLU 263.A N VAL 259.A O no hydrogen 3.059 N/A LYS 264.A N ASP 260.A O no hydrogen 3.306 N/A LYS 264.A N LEU 261.A O no hydrogen 2.899 N/A LYS 264.A NZ ASP 260.A OD1 no hydrogen 3.161 N/A LYS 264.A NZ ASP 260.A OD2 no hydrogen 2.941 N/A MET 265.A N LEU 261.A O no hydrogen 3.117 N/A LEU 266.A N LEU 262.A O no hydrogen 2.957 N/A ASP 271.A N ASP 269.A OD1 no hydrogen 2.891 N/A LYS 272.A N ASP 269.A O no hydrogen 2.940 N/A ARG 273.A NE THR 180.A O no hydrogen 3.224 N/A ARG 273.A NH1 GLU 169.A OE2 no hydrogen 3.559 N/A ARG 273.A NH1 VAL 267.A O no hydrogen 2.910 N/A ARG 273.A NH2 GLU 169.A OE1 no hydrogen 2.549 N/A ARG 273.A NH2 GLU 169.A OE2 no hydrogen 3.431 N/A ARG 273.A NH2 THR 180.A O no hydrogen 3.150 N/A ILE 274.A N LYS 264.A O no hydrogen 3.058 N/A THR 275.A N GLN 278.A OE1 no hydrogen 2.856 N/A GLN 278.A N THR 275.A OG1 no hydrogen 3.014 N/A ALA 279.A N THR 275.A O no hydrogen 2.688 N/A LEU 280.A N ALA 276.A O no hydrogen 2.961 N/A ALA 281.A N GLN 278.A O no hydrogen 3.008 N/A HIS 282.A N ALA 279.A O no hydrogen 3.039 N/A HIS 282.A NE2 ASP 260.A OD2 no hydrogen 2.588 N/A TYR 284.A N HIS 282.A ND1 no hydrogen 3.266 N/A TYR 284.A OH ASP 115.A OD1 no hydrogen 2.941 N/A PHE 285.A N HIS 282.A O no hydrogen 2.845 N/A ALA 286.A N ALA 283.A O no hydrogen 3.281 N/A TYR 288.A N PHE 285.A O no hydrogen 2.984 N/A TYR 288.A OH ASP 116.A OD2 no hydrogen 3.048 N/A HIS 289.A N PHE 285.A O no hydrogen 2.685 N/A HIS 289.A ND1 GLU 294.A OE1 no hydrogen 3.071 N/A ASP 292.A N ASP 290.A OD1 no hydrogen 2.973 N/A ASP 293.A N ASP 290.A O no hydrogen 3.149 N/A ALA 297.A N SER 134.A OG no hydrogen 2.706 N/A GLN 302.A NE2 ASP 136.A O no hydrogen 2.882 N/A SER 303.A N ASP 301.A OD2 no hydrogen 2.921 N/A SER 303.A OG ASP 301.A OD2 no hydrogen 2.619 N/A GLU 305.A N GLN 302.A O no hydrogen 2.932 N/A SER 306.A N SER 303.A O no hydrogen 3.455 N/A SER 306.A OG SER 303.A O no hydrogen 3.474 N/A ARG 307.A N PHE 304.A O no hydrogen 3.279 N/A LEU 310.A N GLU 313.A OE1 no hydrogen 2.917 N/A TRP 314.A N LEU 310.A O no hydrogen 3.083 N/A LYS 315.A N ILE 311.A O no hydrogen 2.766 N/A LYS 315.A NZ PHE 90.A O no hydrogen 3.085 N/A SER 316.A N ASP 312.A O no hydrogen 2.796 N/A LEU 317.A N GLU 313.A O no hydrogen 2.854 N/A THR 318.A N TRP 314.A O no hydrogen 2.979 N/A THR 318.A OG1 TRP 314.A O no hydrogen 2.828 N/A TYR 319.A N LYS 315.A O no hydrogen 2.997 N/A ASP 320.A N SER 316.A O no hydrogen 2.975 N/A GLU 321.A N LEU 317.A O no hydrogen 3.078 N/A VAL 322.A N THR 318.A O no hydrogen 3.012 N/A ILE 323.A N TYR 319.A O no hydrogen 3.002 N/A SER 324.A N ASP 320.A O no hydrogen 2.946 N/A SER 324.A OG ASP 320.A O no hydrogen 2.999 N/A SER 324.A OG GLU 321.A O no hydrogen 3.551 N/A PHE 325.A N VAL 322.A O no hydrogen 3.414 N/A