Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2hk1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N GLY 235.A O no hydrogen 3.178 N/A LYS 1.A NZ THR 234.A O no hydrogen 3.186 N/A HIS 2.A N ASP 30.A OD2 no hydrogen 2.779 N/A GLY 3.A N VAL 237.A O no hydrogen 2.908 N/A TYR 6.A N GLU 33.A O no hydrogen 3.207 N/A TYR 6.A OH ALA 15.A O no hydrogen 2.563 N/A TYR 8.A N TYR 5.A O no hydrogen 3.063 N/A TRP 9.A N TYR 6.A O no hydrogen 3.089 N/A TRP 9.A NE1 ASP 267.A OD1 no hydrogen 2.696 N/A GLU 10.A N SER 7.A O no hydrogen 2.957 N/A TRP 13.A NE1 ASP 251.A OD2 no hydrogen 2.678 N/A ALA 15.A N GLU 12.A O no hydrogen 3.247 N/A TYR 20.A N PHE 17.A O no hydrogen 2.904 N/A TYR 20.A OH GLU 10.A OE2 no hydrogen 2.630 N/A ILE 21.A N GLY 18.A O no hydrogen 3.243 N/A LYS 23.A NZ ASP 267.A OD1 no hydrogen 3.101 N/A LYS 23.A NZ ASP 267.A OD2 no hydrogen 2.827 N/A VAL 24.A N TYR 20.A O no hydrogen 2.796 N/A ALA 25.A N ILE 21.A O no hydrogen 3.296 N/A LYS 26.A N GLU 22.A O no hydrogen 2.891 N/A LYS 26.A NZ GLU 22.A OE2 no hydrogen 2.536 N/A LEU 27.A N LYS 23.A O no hydrogen 2.944 N/A LEU 27.A N VAL 24.A O no hydrogen 3.117 N/A GLY 28.A N ALA 25.A O no hydrogen 3.094 N/A PHE 29.A N VAL 24.A O no hydrogen 3.441 N/A ASP 30.A N HIS 2.A O no hydrogen 2.809 N/A ILE 31.A N HIS 2.A O no hydrogen 2.873 N/A ILE 32.A N ILE 60.A O no hydrogen 2.976 N/A GLU 33.A N ILE 4.A O no hydrogen 2.867 N/A VAL 34.A N THR 62.A O no hydrogen 2.605 N/A ALA 36.A N GLY 64.A O no hydrogen 3.024 N/A HIS 38.A NE2 SER 14.A O no hydrogen 2.533 N/A ASN 40.A ND2 THR 91.A OG1 no hydrogen 2.916 N/A GLU 41.A N HIS 38.A O no hydrogen 2.906 N/A TYR 42.A N ILE 39.A O no hydrogen 3.253 N/A SER 43.A N GLU 46.A OE1 no hydrogen 3.057 N/A SER 43.A OG GLU 46.A OE1 no hydrogen 3.389 N/A GLU 46.A N SER 43.A OG no hydrogen 3.244 N/A LEU 47.A N SER 43.A O no hydrogen 3.098 N/A ALA 48.A N ASP 44.A O no hydrogen 3.158 N/A THR 49.A N ALA 45.A O no hydrogen 3.102 N/A THR 49.A OG1 ALA 45.A O no hydrogen 3.069 N/A ILE 50.A N GLU 46.A O no hydrogen 2.997 N/A ARG 51.A N LEU 47.A O no hydrogen 2.826 N/A ARG 51.A NH1 LYS 97.A O no hydrogen 3.268 N/A LYS 52.A N ALA 48.A O no hydrogen 2.846 N/A SER 53.A N THR 49.A O no hydrogen 2.852 N/A ALA 54.A N ILE 50.A O no hydrogen 3.069 N/A LYS 55.A N ARG 51.A O no hydrogen 3.045 N/A ASP 56.A N LYS 52.A O no hydrogen 2.808 N/A ASN 57.A N SER 53.A O no hydrogen 3.026 N/A ASN 57.A ND2 SER 53.A O no hydrogen 2.794 N/A GLY 58.A N LYS 55.A O no hydrogen 2.835 N/A ILE 59.A N ALA 54.A O no hydrogen 3.086 N/A ILE 60.A N ASP 30.A O no hydrogen 2.850 N/A THR 62.A N ILE 32.A O no hydrogen 3.170 N/A ALA 63.A N THR 102.A O no hydrogen 3.193 N/A GLY 64.A N VAL 34.A O no hydrogen 2.759 N/A ILE 65.A N GLY 104.A O no hydrogen 2.814 N/A SER 68.A OG THR 70.A OG1 no hydrogen 3.018 N/A THR 70.A N SER 68.A OG no hydrogen 3.278 N/A THR 70.A OG1 SER 68.A OG no hydrogen 3.018 N/A LYS 71.A N SER 68.A O no hydrogen 3.149 N/A LYS 71.A N SER 68.A OG no hydrogen 2.934 N/A SER 74.A OG ASN 72.A OD1 no hydrogen 3.321 N/A SER 75.A N ASN 72.A OD1 no hydrogen 2.592 N/A ASP 77.A N SER 75.A OG no hydrogen 3.110 N/A ALA 79.A N ASP 77.A OD1 no hydrogen 2.438 N/A VAL 80.A N ASP 77.A OD1 no hydrogen 3.275 N/A ARG 81.A N ASP 77.A O no hydrogen 3.223 N/A ARG 81.A NH1 SER 75.A O no hydrogen 2.780 N/A ALA 82.A N ALA 78.A O no hydrogen 3.005 N/A ALA 83.A N ALA 79.A O no hydrogen 2.841 N/A GLY 84.A N VAL 80.A O no hydrogen 2.688 N/A LYS 85.A N ARG 81.A O no hydrogen 2.862 N/A ALA 86.A N ALA 82.A O no hydrogen 2.973 N/A PHE 87.A N ALA 83.A O no hydrogen 2.755 N/A PHE 88.A N GLY 84.A O no hydrogen 2.847 N/A GLU 89.A N LYS 85.A O no hydrogen 3.074 N/A ARG 90.A N ALA 86.A O no hydrogen 3.125 N/A ARG 90.A NH2 ASN 40.A O no hydrogen 2.875 N/A THR 91.A N PHE 87.A O no hydrogen 2.869 N/A THR 91.A OG1 PHE 87.A O no hydrogen 2.641 N/A LEU 92.A N PHE 88.A O no hydrogen 2.710 N/A SER 93.A N GLU 89.A O no hydrogen 3.055 N/A SER 93.A OG GLU 89.A O no hydrogen 2.775 N/A ASN 94.A N ARG 90.A O no hydrogen 3.167 N/A ASN 94.A ND2 ASN 40.A OD1 no hydrogen 3.028 N/A VAL 95.A N THR 91.A O no hydrogen 2.836 N/A ALA 96.A N LEU 92.A O no hydrogen 2.979 N/A LYS 97.A N SER 93.A O no hydrogen 3.227 N/A LYS 97.A N ASN 94.A O no hydrogen 3.129 N/A LYS 97.A NZ ASP 44.A OD1 no hydrogen 3.054 N/A LYS 97.A NZ ASP 44.A OD2 no hydrogen 3.349 N/A LYS 97.A NZ ASN 94.A OD1 no hydrogen 2.887 N/A LEU 98.A N VAL 95.A O no hydrogen 3.036 N/A ASP 99.A N ALA 96.A O no hydrogen 3.029 N/A ILE 100.A N VAL 95.A O no hydrogen 3.228 N/A HIS 101.A ND1 GLY 143.A O no hydrogen 2.652 N/A HIS 101.A NE2 ASP 99.A OD1 no hydrogen 2.801 N/A ILE 103.A N ASN 145.A O no hydrogen 2.988 N/A GLY 104.A N ALA 63.A O no hydrogen 2.989 N/A GLY 105.A N CYS 147.A O no hydrogen 3.351 N/A HIS 108.A N HIS 108.A ND1 no hydrogen 2.801 N/A HIS 108.A NE2 ASN 156.A OD1 no hydrogen 3.271 N/A SER 109.A N ALA 106.A O no hydrogen 3.058 N/A SER 109.A OG TYR 110.A O no hydrogen 3.402 N/A TYR 110.A N SER 109.A OG no hydrogen 2.458 N/A TRP 111.A N PRO 67.A O no hydrogen 2.906 N/A TRP 111.A NE1 GLU 155.A OE1 no hydrogen 2.579 N/A ASP 114.A N TYR 110.A OH no hydrogen 3.332 N/A TYR 115.A OH ARG 153.A O no hydrogen 3.085 N/A SER 116.A OG ASP 114.A OD1 no hydrogen 2.840 N/A SER 116.A OG ASP 114.A OD2 no hydrogen 2.852 N/A LYS 121.A NZ GLU 164.A OE2 no hydrogen 3.091 N/A GLY 123.A N ASP 120.A OD1 no hydrogen 3.089 N/A ASP 124.A N ASP 120.A O no hydrogen 3.129 N/A TYR 125.A N LYS 121.A O no hydrogen 2.853 N/A TYR 125.A OH ASP 171.A OD2 no hydrogen 2.626 N/A ALA 126.A N ALA 122.A O no hydrogen 3.078 N/A ARG 127.A N GLY 123.A O no hydrogen 2.959 N/A ARG 127.A NH1 SER 74.A O no hydrogen 3.313 N/A ARG 127.A NH2 ASP 120.A OD2 no hydrogen 2.977 N/A GLY 128.A N ASP 124.A O no hydrogen 2.816 N/A VAL 129.A N TYR 125.A O no hydrogen 2.950 N/A GLU 130.A N ALA 126.A O no hydrogen 3.172 N/A GLY 131.A N ARG 127.A O no hydrogen 2.766 N/A ILE 132.A N GLY 128.A O no hydrogen 2.796 N/A ASN 133.A N VAL 129.A O no hydrogen 2.941 N/A GLY 134.A N GLU 130.A O no hydrogen 2.713 N/A ILE 135.A N ILE 132.A O no hydrogen 3.077 N/A ALA 136.A N ILE 132.A O no hydrogen 3.006 N/A ALA 139.A N ILE 135.A O no hydrogen 3.185 N/A ASN 140.A N ALA 136.A O no hydrogen 2.819 N/A ASP 141.A N ASP 137.A O no hydrogen 2.885 N/A LEU 142.A N ALA 139.A O no hydrogen 3.028 N/A GLY 143.A N ASN 140.A O no hydrogen 2.878 N/A ILE 144.A N ALA 139.A O no hydrogen 2.953 N/A ASN 145.A N HIS 101.A O no hydrogen 2.722 N/A LEU 146.A N ASN 176.A O no hydrogen 2.758 N/A CYS 147.A N ILE 103.A O no hydrogen 2.798 N/A ILE 148.A N LYS 178.A O no hydrogen 2.839 N/A GLU 149.A N GLY 105.A O no hydrogen 2.861 N/A LEU 151.A N LEU 159.A O no hydrogen 3.216 N/A ASN 152.A N HIS 184.A ND1 no hydrogen 2.952 N/A ASN 152.A ND2 GLU 155.A OE2 no hydrogen 3.305 N/A ARG 153.A N GLU 187.A OE2 no hydrogen 2.960 N/A ARG 153.A NE GLU 187.A OE1 no hydrogen 3.436 N/A ARG 153.A NE GLU 187.A OE2 no hydrogen 2.640 N/A ARG 153.A NH2 GLU 187.A OE1 no hydrogen 2.921 N/A PHE 154.A N ASN 152.A OD1 no hydrogen 2.761 N/A GLU 155.A N ASN 152.A O no hydrogen 2.914 N/A ASN 156.A N ASN 152.A O no hydrogen 3.064 N/A HIS 157.A NE2 ASP 124.A OD2 no hydrogen 2.838 N/A VAL 158.A N ASN 156.A OD1 no hydrogen 2.836 N/A LEU 159.A N ASN 156.A OD1 no hydrogen 3.164 N/A ASN 160.A N GLU 164.A OE1 no hydrogen 2.741 N/A ASN 160.A ND2 LEU 151.A O no hydrogen 2.827 N/A ASN 160.A ND2 ASN 156.A O no hydrogen 2.719 N/A ALA 162.A N GLU 188.A OE2 no hydrogen 2.765 N/A GLY 165.A N THR 161.A O no hydrogen 2.816 N/A VAL 166.A N ALA 162.A O no hydrogen 2.862 N/A ALA 167.A N ALA 163.A O no hydrogen 2.940 N/A PHE 168.A N GLU 164.A O no hydrogen 2.992 N/A VAL 169.A N GLY 165.A O no hydrogen 2.991 N/A LYS 170.A N VAL 166.A O no hydrogen 3.000 N/A ASP 171.A N ALA 167.A O no hydrogen 3.047 N/A VAL 172.A N PHE 168.A O no hydrogen 2.991 N/A GLY 173.A N VAL 169.A O no hydrogen 3.196 N/A LYS 174.A NZ ASP 137.A OD1 no hydrogen 2.992 N/A LYS 174.A NZ ASP 137.A OD2 no hydrogen 3.073 N/A ASN 176.A ND2 ALA 136.A O no hydrogen 2.986 N/A ASN 176.A ND2 ILE 144.A O no hydrogen 3.004 N/A VAL 177.A N LYS 174.A O no hydrogen 3.402 N/A LYS 178.A N LEU 146.A O no hydrogen 2.815 N/A VAL 179.A N LEU 201.A O no hydrogen 2.700 N/A THR 182.A N HIS 206.A O no hydrogen 2.870 N/A THR 182.A OG1 GLY 208.A O no hydrogen 2.855 N/A PHE 183.A N ASP 181.A OD1 no hydrogen 2.736 N/A ILE 186.A N HIS 184.A O no hydrogen 3.172 N/A GLU 187.A N HIS 184.A O no hydrogen 3.307 N/A SER 190.A OG GLU 223.A OE2 no hydrogen 3.549 N/A GLY 192.A N GLU 223.A OE2 no hydrogen 2.797 N/A ASP 193.A N SER 190.A OG no hydrogen 2.962 N/A ALA 194.A N SER 190.A O no hydrogen 3.148 N/A ILE 195.A N PHE 191.A O no hydrogen 3.079 N/A ARG 196.A N GLY 192.A O no hydrogen 2.824 N/A ARG 196.A NH1 ASP 230.A OD2 no hydrogen 2.783 N/A ARG 196.A NH2 ASP 193.A OD1 no hydrogen 3.221 N/A THR 197.A N ASP 193.A O no hydrogen 2.695 N/A THR 197.A OG1 ASP 193.A O no hydrogen 2.684 N/A ALA 198.A N ALA 194.A O no hydrogen 3.053 N/A GLY 199.A N ILE 195.A O no hydrogen 2.996 N/A LEU 201.A N ALA 198.A O no hydrogen 2.890 N/A LEU 202.A N GLY 199.A O no hydrogen 3.109 N/A GLY 203.A N VAL 179.A O no hydrogen 2.792 N/A HIS 204.A NE2 GLU 33.A OE1 no hydrogen 2.845 N/A HIS 206.A N LEU 180.A O no hydrogen 2.843 N/A HIS 206.A NE2 GLU 33.A OE2 no hydrogen 2.875 N/A THR 207.A N ILE 238.A O no hydrogen 2.992 N/A GLY 208.A N THR 182.A OG1 no hydrogen 3.055 N/A GLU 209.A N ARG 213.A O no hydrogen 3.102 N/A ARG 212.A N GLU 209.A O no hydrogen 2.833 N/A ARG 212.A NH1 GLU 239.A OE1 no hydrogen 3.377 N/A ARG 213.A NE ASN 211.A OD1 no hydrogen 2.734 N/A GLY 216.A N GLU 209.A OE2 no hydrogen 2.915 N/A LYS 217.A N VAL 214.A O no hydrogen 3.251 N/A LYS 217.A NZ ASP 269.A OD1 no hydrogen 2.907 N/A TRP 221.A NE1 GLU 209.A OE2 no hydrogen 3.007 N/A ILE 224.A N PRO 220.A O no hydrogen 3.008 N/A GLY 225.A N TRP 221.A O no hydrogen 2.798 N/A LEU 226.A N HIS 222.A O no hydrogen 2.985 N/A ALA 227.A N GLU 223.A O no hydrogen 3.000 N/A LEU 228.A N ILE 224.A O no hydrogen 3.051 N/A ARG 229.A N GLY 225.A O no hydrogen 3.083 N/A ARG 229.A NH1 VAL 280.A O no hydrogen 3.172 N/A ARG 229.A NH1 LEU 281.A O no hydrogen 3.295 N/A ASP 230.A N LEU 226.A O no hydrogen 2.739 N/A ILE 231.A N ALA 227.A O no hydrogen 2.992 N/A ASN 232.A N ARG 229.A O no hydrogen 2.887 N/A TYR 233.A N LEU 228.A O no hydrogen 2.906 N/A TYR 233.A OH ALA 236.A O no hydrogen 2.760 N/A VAL 237.A N LYS 1.A O no hydrogen 2.708 N/A ILE 238.A N PHE 205.A O no hydrogen 2.885 N/A PHE 241.A N ARG 212.A O no hydrogen 3.020 N/A LYS 243.A NZ SER 259.A OG no hydrogen 2.904 N/A LYS 243.A NZ ALA 262.A O no hydrogen 2.866 N/A THR 247.A N GLU 12.A OE2 no hydrogen 2.713 N/A THR 247.A OG1 GLU 12.A OE2 no hydrogen 2.370 N/A ILE 248.A N HIS 11.A O no hydrogen 2.921 N/A GLY 249.A N GLY 245.A O no hydrogen 3.060 N/A SER 250.A N GLY 246.A O no hydrogen 3.051 N/A SER 250.A OG GLY 246.A O no hydrogen 3.338 N/A SER 250.A OG THR 247.A O no hydrogen 3.231 N/A ASP 251.A N THR 247.A O no hydrogen 2.832 N/A ILE 252.A N ILE 248.A O no hydrogen 2.927 N/A VAL 254.A N GLY 249.A O no hydrogen 2.868 N/A LEU 258.A N VAL 242.A O no hydrogen 2.896 N/A SER 259.A N ASP 257.A OD1 no hydrogen 3.463 N/A SER 259.A OG ASP 257.A OD1 no hydrogen 2.672 N/A SER 259.A OG ASP 257.A OD2 no hydrogen 3.139 N/A GLY 261.A N ASP 257.A OD2 no hydrogen 2.729 N/A ALA 262.A N SER 259.A OG no hydrogen 3.226 N/A LYS 266.A N ASP 263.A OD1 no hydrogen 3.172 N/A LYS 266.A NZ ASP 269.A OD1 no hydrogen 3.190 N/A LYS 266.A NZ ASP 269.A OD2 no hydrogen 3.527 N/A GLU 268.A N ALA 265.A O no hydrogen 2.965 N/A ASP 269.A N LYS 266.A O no hydrogen 2.953 N/A ARG 271.A N ASP 267.A O no hydrogen 2.849 N/A ASN 272.A N GLU 268.A O no hydrogen 2.777 N/A ALA 273.A N ASP 269.A O no hydrogen 2.760 N/A LEU 274.A N ALA 270.A O no hydrogen 2.855 N/A ALA 275.A N ARG 271.A O no hydrogen 3.123 N/A PHE 276.A N ASN 272.A O no hydrogen 2.971 N/A SER 277.A N ALA 273.A O no hydrogen 2.805 N/A SER 277.A OG ALA 273.A O no hydrogen 2.784 N/A ARG 278.A N LEU 274.A O no hydrogen 2.933 N/A ARG 278.A NH1 GLY 28.A O no hydrogen 3.251 N/A ARG 278.A NH2 GLY 28.A O no hydrogen 3.022 N/A ARG 278.A NH2 ASP 30.A OD2 no hydrogen 3.058 N/A PHE 279.A N ALA 275.A O no hydrogen 2.938 N/A VAL 280.A N PHE 276.A O no hydrogen 2.847 N/A LEU 281.A N SER 277.A O no hydrogen 2.851 N/A