Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1i6k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N ASP 135.A OD2 no hydrogen 2.832 N/A ILE 3.A N ASN 33.A O no hydrogen 2.746 N/A PHE 4.A N ILE 136.A O no hydrogen 3.293 N/A SER 5.A N TYR 35.A O no hydrogen 3.042 N/A SER 5.A OG PRO 138.A O no hydrogen 2.693 N/A ILE 7.A N CYS 37.A O no hydrogen 3.103 N/A SER 10.A OG VAL 12.A O no hydrogen 3.390 N/A THR 14.A N ASN 17.A OD1 no hydrogen 2.907 N/A THR 14.A OG1 ASN 17.A OD1 no hydrogen 3.415 N/A ILE 15.A N ILE 198.A O no hydrogen 2.824 N/A ASN 17.A N THR 14.A OG1 no hydrogen 3.091 N/A TYR 18.A N THR 14.A O no hydrogen 3.059 N/A ILE 19.A N ILE 15.A O no hydrogen 2.903 N/A GLY 20.A N GLY 16.A O no hydrogen 2.833 N/A ALA 21.A N ASN 17.A O no hydrogen 3.014 N/A LEU 22.A N ASN 17.A O no hydrogen 3.157 N/A ARG 23.A N TYR 18.A O no hydrogen 2.855 N/A ARG 23.A NE ILE 19.A O no hydrogen 2.843 N/A ARG 23.A NH2 ILE 19.A O no hydrogen 3.057 N/A ARG 23.A NH2 VAL 175.A O no hydrogen 3.029 N/A GLN 24.A NE2 GLY 20.A O no hydrogen 2.864 N/A GLN 24.A NE2 VAL 139.A O no hydrogen 3.333 N/A GLN 24.A NE2 ARG 171.A O no hydrogen 3.341 N/A PHE 25.A N ALA 21.A O no hydrogen 3.044 N/A VAL 26.A N LEU 22.A O no hydrogen 3.119 N/A GLU 27.A N ARG 23.A O no hydrogen 3.107 N/A LEU 28.A N GLN 24.A O no hydrogen 2.894 N/A GLN 29.A N PHE 25.A O no hydrogen 2.907 N/A GLN 29.A NE2 GLY 68.A O no hydrogen 2.888 N/A GLU 31.A N LEU 28.A O no hydrogen 3.096 N/A ASN 33.A N LYS 1.A O no hydrogen 2.898 N/A ASN 33.A ND2 LYS 1.A O no hydrogen 3.519 N/A CYS 34.A SG TYR 32.A O no hydrogen 3.548 N/A TYR 35.A N ILE 3.A O no hydrogen 2.859 N/A PHE 36.A N THR 75.A O no hydrogen 2.798 N/A CYS 37.A N SER 5.A O no hydrogen 2.976 N/A CYS 37.A SG PHE 77.A O no hydrogen 3.741 N/A ILE 38.A N PHE 77.A O no hydrogen 2.890 N/A VAL 39.A N ILE 7.A O no hydrogen 3.087 N/A ASP 40.A N ILE 38.A O no hydrogen 2.970 N/A HIS 42.A N GLN 79.A OE1 no hydrogen 3.177 N/A HIS 42.A NE2 TYR 122.A O no hydrogen 2.891 N/A ALA 43.A N VAL 39.A O no hydrogen 2.863 N/A ILE 44.A N ASP 40.A O no hydrogen 3.174 N/A THR 45.A N HIS 42.A O no hydrogen 2.985 N/A THR 45.A OG1 HIS 42.A O no hydrogen 2.748 N/A VAL 46.A N ALA 43.A O no hydrogen 3.451 N/A GLN 48.A NE2 ALA 43.A O no hydrogen 3.023 N/A GLU 52.A N ASP 49.A OD2 no hydrogen 2.778 N/A LEU 53.A N ASP 49.A O no hydrogen 2.893 N/A ARG 54.A N PRO 50.A O no hydrogen 3.099 N/A GLN 55.A N HIS 51.A O no hydrogen 3.140 N/A ASN 56.A N GLU 52.A O no hydrogen 2.772 N/A ILE 57.A N LEU 53.A O no hydrogen 2.893 N/A ARG 58.A N ARG 54.A O no hydrogen 3.335 N/A ARG 58.A NH1 ASP 290.A OD1 no hydrogen 2.940 N/A ARG 58.A NH1 ASP 290.A OD2 no hydrogen 3.528 N/A ARG 58.A NH2 ASP 290.A OD1 no hydrogen 3.562 N/A ARG 58.A NH2 ASP 290.A OD2 no hydrogen 3.091 N/A ARG 59.A N GLN 55.A O no hydrogen 2.716 N/A ARG 59.A NH2 ASN 56.A OD1 no hydrogen 3.070 N/A LEU 60.A N ASN 56.A O no hydrogen 2.921 N/A ALA 61.A N ILE 57.A O no hydrogen 3.145 N/A ALA 62.A N ARG 58.A O no hydrogen 2.880 N/A LEU 63.A N ARG 59.A O no hydrogen 2.911 N/A TYR 64.A N LEU 60.A O no hydrogen 2.906 N/A TYR 64.A OH CYS 37.A O no hydrogen 2.904 N/A LEU 65.A N ALA 61.A O no hydrogen 3.124 N/A ALA 66.A N ALA 62.A O no hydrogen 2.706 N/A VAL 67.A N LEU 63.A O no hydrogen 2.892 N/A GLY 68.A N LEU 65.A O no hydrogen 2.937 N/A ILE 69.A N TYR 64.A O no hydrogen 3.054 N/A ASP 70.A N GLN 29.A OE1 no hydrogen 2.770 N/A THR 72.A N ASP 70.A OD1 no hydrogen 2.831 N/A THR 72.A OG1 ASP 70.A OD1 no hydrogen 2.657 N/A GLN 73.A N ASP 70.A O no hydrogen 2.859 N/A GLN 73.A NE2 THR 72.A OG1 no hydrogen 3.148 N/A ALA 74.A N ASP 70.A O no hydrogen 2.893 N/A THR 75.A N CYS 34.A O no hydrogen 2.813 N/A PHE 77.A N PHE 36.A O no hydrogen 3.015 N/A GLN 79.A N ILE 38.A O no hydrogen 2.929 N/A GLN 79.A NE2 HIS 42.A ND1 no hydrogen 3.144 N/A GLN 79.A NE2 ASP 128.A OD2 no hydrogen 2.706 N/A SER 80.A N ASP 40.A OD1 no hydrogen 2.782 N/A SER 80.A OG ASP 40.A OD1 no hydrogen 3.387 N/A SER 80.A OG ASP 40.A OD2 no hydrogen 2.577 N/A GLU 81.A N ILE 78.A O no hydrogen 2.941 N/A VAL 82.A N GLN 79.A O no hydrogen 3.042 N/A HIS 85.A N VAL 82.A O no hydrogen 3.035 N/A GLN 87.A N PRO 83.A O no hydrogen 3.134 N/A ALA 88.A N ALA 84.A O no hydrogen 2.792 N/A ALA 89.A N HIS 85.A O no hydrogen 2.890 N/A TRP 90.A N ALA 86.A O no hydrogen 3.083 N/A GLN 92.A N ALA 89.A O no hydrogen 2.834 N/A GLN 92.A NE2 ALA 89.A O no hydrogen 3.591 N/A CYS 93.A N TRP 90.A O no hydrogen 3.071 N/A CYS 93.A SG TRP 90.A O no hydrogen 3.500 N/A ILE 94.A N LEU 91.A O no hydrogen 3.147 N/A VAL 95.A N LEU 91.A O no hydrogen 3.092 N/A TYR 96.A N GLU 99.A OE1 no hydrogen 2.939 N/A LEU 100.A N TYR 96.A O no hydrogen 3.321 N/A GLU 101.A N ILE 97.A O no hydrogen 2.857 N/A ARG 102.A N GLY 98.A O no hydrogen 3.177 N/A THR 103.A OG1 GLN 145.A OE1 no hydrogen 3.193 N/A GLU 107.A N THR 103.A O no hydrogen 2.835 N/A LYS 108.A N GLN 104.A O no hydrogen 2.989 N/A SER 109.A N PHE 105.A O no hydrogen 2.958 N/A SER 109.A OG PHE 105.A O no hydrogen 2.710 N/A SER 109.A OG LYS 106.A O no hydrogen 3.532 N/A ALA 110.A N GLU 107.A O no hydrogen 3.322 N/A LEU 119.A N SER 116.A O no hydrogen 3.201 N/A THR 121.A N ALA 117.A O no hydrogen 2.983 N/A THR 121.A OG1 ALA 117.A O no hydrogen 3.061 N/A TYR 122.A N LEU 119.A O no hydrogen 3.437 N/A TYR 122.A OH GLN 8.A OE1 no hydrogen 3.065 N/A ALA 127.A N PRO 124.A O no hydrogen 2.935 N/A ASP 128.A N LEU 125.A O no hydrogen 2.903 N/A LEU 130.A N ALA 126.A O no hydrogen 2.858 N/A LEU 131.A N ALA 127.A O no hydrogen 2.956 N/A TYR 132.A N ILE 129.A O no hydrogen 3.345 N/A ASN 133.A N LEU 130.A O no hydrogen 3.179 N/A THR 134.A OG1 ILE 129.A O no hydrogen 2.590 N/A ASP 135.A N THR 2.A O no hydrogen 2.885 N/A ILE 136.A N THR 2.A O no hydrogen 2.955 N/A VAL 137.A N GLU 169.A O no hydrogen 2.871 N/A VAL 139.A N ARG 171.A O no hydrogen 3.130 N/A GLU 141.A N ALA 177.A O no hydrogen 2.945 N/A GLN 143.A N GLY 140.A O no hydrogen 3.243 N/A GLN 143.A NE2 ASP 142.A OD1 no hydrogen 2.941 N/A LYS 144.A N GLU 141.A O no hydrogen 3.145 N/A GLN 145.A NE2 ARG 102.A O no hydrogen 3.480 N/A HIS 146.A ND1 GLN 143.A OE1 no hydrogen 2.831 N/A ILE 147.A N GLN 143.A O no hydrogen 3.072 N/A GLU 148.A N LYS 144.A O no hydrogen 2.862 N/A LEU 149.A N GLN 145.A O no hydrogen 2.940 N/A THR 150.A N HIS 146.A O no hydrogen 2.906 N/A THR 150.A OG1 HIS 146.A O no hydrogen 2.960 N/A ARG 151.A N ILE 147.A O no hydrogen 2.868 N/A ARG 151.A NH1 PRO 168.A O no hydrogen 2.802 N/A ASP 152.A N GLU 148.A O no hydrogen 2.955 N/A LEU 153.A N LEU 149.A O no hydrogen 2.814 N/A ALA 154.A N THR 150.A O no hydrogen 2.874 N/A GLU 155.A N ARG 151.A O no hydrogen 2.939 N/A ARG 156.A N ASP 152.A O no hydrogen 2.868 N/A ARG 156.A NH1 ILE 94.A O no hydrogen 2.775 N/A ARG 156.A NH1 GLU 99.A OE1 no hydrogen 2.933 N/A ARG 156.A NH1 GLU 99.A OE2 no hydrogen 3.570 N/A ARG 156.A NH2 GLU 99.A OE2 no hydrogen 2.792 N/A PHE 157.A N LEU 153.A O no hydrogen 2.803 N/A ASN 158.A N ALA 154.A O no hydrogen 2.908 N/A ASN 158.A ND2 PHE 165.A O no hydrogen 2.893 N/A LYS 159.A N GLU 155.A O no hydrogen 2.851 N/A ARG 160.A N ARG 156.A O no hydrogen 2.908 N/A ARG 160.A NH2 TYR 96.A OH no hydrogen 3.394 N/A TYR 161.A N PHE 157.A O no hydrogen 2.733 N/A GLY 162.A N ASN 158.A O no hydrogen 2.923 N/A LEU 164.A N ASN 158.A OD1 no hydrogen 2.842 N/A PHE 165.A N ASN 158.A OD1 no hydrogen 2.923 N/A THR 166.A OG1 ASN 133.A OD1 no hydrogen 2.586 N/A GLU 169.A N ASP 135.A O no hydrogen 2.958 N/A ARG 171.A N VAL 137.A O no hydrogen 2.960 N/A ARG 171.A NH1 GLU 27.A OE1 no hydrogen 3.145 N/A ARG 171.A NH2 GLN 24.A OE1 no hydrogen 2.969 N/A ARG 171.A NH2 GLU 27.A OE2 no hydrogen 2.968 N/A SER 180.A N LYS 186.A O no hydrogen 2.752 N/A LEU 181.A N ALA 196.A O no hydrogen 3.010 N/A VAL 182.A N SER 180.A OG no hydrogen 2.975 N/A ASP 183.A N SER 180.A OG no hydrogen 2.894 N/A THR 185.A N ASP 183.A OD1 no hydrogen 3.024 N/A THR 185.A OG1 ASP 183.A OD1 no hydrogen 2.583 N/A THR 185.A OG1 ASP 183.A OD2 no hydrogen 3.321 N/A LYS 186.A N ASP 183.A O no hydrogen 3.039 N/A SER 190.A N SER 188.A OG no hydrogen 2.735 N/A SER 190.A OG SER 188.A OG no hydrogen 3.114 N/A ASP 191.A N SER 188.A O no hydrogen 3.056 N/A ASN 193.A N ASP 191.A OD1 no hydrogen 2.921 N/A LYS 195.A N ASN 193.A OD1 no hydrogen 3.054 N/A LYS 195.A NZ SER 213.A OG no hydrogen 3.266 N/A ALA 196.A N ASN 193.A O no hydrogen 2.838 N/A THR 199.A N ASP 202.A OD2 no hydrogen 3.089 N/A THR 199.A OG1 ASP 202.A OD1 no hydrogen 2.625 N/A LEU 200.A N ILE 13.A O no hydrogen 2.938 N/A LEU 201.A N THR 199.A OG1 no hydrogen 3.090 N/A ASP 202.A N THR 199.A O no hydrogen 3.169 N/A THR 206.A N ASP 203.A OD1 no hydrogen 2.869 N/A THR 206.A OG1 ASP 203.A OD1 no hydrogen 2.705 N/A ILE 207.A N ASP 203.A O no hydrogen 2.952 N/A GLU 208.A N ALA 204.A O no hydrogen 2.955 N/A LYS 209.A N LYS 205.A O no hydrogen 2.957 N/A LYS 210.A N THR 206.A O no hydrogen 2.911 N/A LYS 210.A NZ PRO 194.A O no hydrogen 3.089 N/A LYS 210.A NZ TYR 197.A O no hydrogen 2.848 N/A LYS 210.A NZ ASP 202.A OD2 no hydrogen 2.608 N/A ILE 211.A N ILE 207.A O no hydrogen 2.920 N/A LYS 212.A N GLU 208.A O no hydrogen 2.870 N/A SER 213.A N LYS 209.A O no hydrogen 3.035 N/A SER 213.A OG LYS 209.A O no hydrogen 3.065 N/A ALA 214.A N ILE 211.A O no hydrogen 3.085 N/A VAL 215.A N LEU 181.A O no hydrogen 2.877 N/A THR 216.A OG1 ASP 217.A O no hydrogen 3.357 N/A GLU 219.A N ASP 217.A OD1 no hydrogen 2.740 N/A THR 221.A OG1 GLU 219.A O no hydrogen 3.186 N/A ARG 223.A NH1 GLU 219.A OE1 no hydrogen 3.301 N/A ARG 223.A NH2 ASP 225.A OD2 no hydrogen 3.067 N/A TYR 224.A N GLU 251.A OE1 no hydrogen 2.692 N/A ASP 225.A N SER 233.A OG no hydrogen 2.987 N/A ALA 228.A N ASP 225.A OD1 no hydrogen 2.674 N/A LYS 229.A N ASP 225.A O no hydrogen 2.676 N/A LYS 229.A NZ ASP 217.A OD1 no hydrogen 3.475 N/A LYS 229.A NZ ASP 217.A OD2 no hydrogen 2.882 N/A LYS 229.A NZ GLU 219.A OE2 no hydrogen 3.234 N/A LYS 229.A NZ THR 221.A O no hydrogen 2.783 N/A LYS 229.A NZ TYR 259.A OH no hydrogen 3.039 N/A SER 233.A N LYS 229.A O no hydrogen 3.069 N/A SER 233.A OG LYS 229.A O no hydrogen 2.303 N/A ASN 234.A N PRO 230.A O no hydrogen 3.046 N/A LEU 235.A N GLY 231.A O no hydrogen 3.042 N/A LEU 236.A N ILE 232.A O no hydrogen 2.850 N/A ASN 237.A N SER 233.A O no hydrogen 2.866 N/A ASN 237.A ND2 TYR 224.A OH no hydrogen 3.219 N/A ILE 238.A N ASN 234.A O no hydrogen 3.001 N/A TYR 239.A N LEU 235.A O no hydrogen 2.926 N/A TYR 239.A OH TYR 254.A OH no hydrogen 2.533 N/A SER 240.A N LEU 236.A O no hydrogen 2.842 N/A SER 240.A OG GLN 245.A O no hydrogen 2.630 N/A THR 241.A N ASN 237.A O no hydrogen 3.004 N/A THR 241.A OG1 ASN 237.A O no hydrogen 2.948 N/A THR 241.A OG1 ILE 238.A O no hydrogen 3.213 N/A LEU 242.A N ILE 238.A O no hydrogen 2.984 N/A SER 243.A N TYR 239.A O no hydrogen 2.861 N/A SER 243.A OG TYR 239.A O no hydrogen 2.706 N/A GLY 244.A N SER 240.A O no hydrogen 2.843 N/A GLN 245.A N SER 243.A OG no hydrogen 3.093 N/A GLN 245.A NE2 GLU 249.A OE1 no hydrogen 3.559 N/A GLN 245.A NE2 GLN 253.A OE1 no hydrogen 3.191 N/A SER 246.A N GLU 249.A OE2 no hydrogen 3.128 N/A GLU 249.A N SER 246.A OG no hydrogen 2.955 N/A LEU 250.A N SER 246.A O no hydrogen 2.982 N/A GLU 251.A N ILE 247.A O no hydrogen 2.941 N/A ARG 252.A N GLU 248.A O no hydrogen 3.058 N/A GLN 253.A N GLU 249.A O no hydrogen 2.867 N/A TYR 254.A N LEU 250.A O no hydrogen 2.996 N/A TYR 254.A OH TYR 239.A OH no hydrogen 2.533 N/A TYR 254.A OH ASP 265.A OD1 no hydrogen 2.516 N/A GLU 255.A N ARG 252.A O no hydrogen 2.994 N/A LYS 257.A N TYR 254.A O no hydrogen 2.868 N/A TYR 259.A OH ASP 217.A OD1 no hydrogen 2.580 N/A TYR 259.A OH ASP 217.A OD2 no hydrogen 3.366 N/A TYR 259.A OH THR 221.A O no hydrogen 3.141 N/A PHE 262.A N GLY 258.A O no hydrogen 3.390 N/A LYS 263.A N TYR 259.A O no hydrogen 2.813 N/A LYS 263.A NZ LYS 212.A O no hydrogen 2.787 N/A LYS 263.A NZ ALA 214.A O no hydrogen 2.721 N/A ALA 264.A N GLY 260.A O no hydrogen 3.055 N/A ASP 265.A N VAL 261.A O no hydrogen 2.964 N/A LEU 266.A N PHE 262.A O no hydrogen 2.805 N/A ALA 267.A N LYS 263.A O no hydrogen 2.942 N/A GLN 268.A N ALA 264.A O no hydrogen 3.174 N/A VAL 269.A N ASP 265.A O no hydrogen 3.007 N/A VAL 270.A N LEU 266.A O no hydrogen 2.813 N/A ILE 271.A N ALA 267.A O no hydrogen 2.901 N/A GLU 272.A N GLN 268.A O no hydrogen 2.834 N/A THR 273.A N VAL 269.A O no hydrogen 3.070 N/A THR 273.A OG1 VAL 269.A O no hydrogen 2.875 N/A LEU 274.A N VAL 270.A O no hydrogen 2.889 N/A ARG 275.A N ILE 271.A O no hydrogen 2.897 N/A GLN 278.A N LEU 274.A O no hydrogen 2.803 N/A GLN 278.A NE2 LEU 200.A O no hydrogen 2.820 N/A GLN 278.A NE2 ASP 202.A O no hydrogen 2.844 N/A GLU 279.A N ARG 275.A O no hydrogen 2.986 N/A ARG 280.A N PRO 276.A O no hydrogen 3.035 N/A ARG 280.A NE ALA 66.A O no hydrogen 2.698 N/A ARG 280.A NH1 ALA 66.A O no hydrogen 2.917 N/A TYR 281.A N ILE 277.A O no hydrogen 2.773 N/A HIS 282.A N GLN 278.A O no hydrogen 3.060 N/A HIS 283.A N GLU 279.A O no hydrogen 3.333 N/A TRP 284.A N ARG 280.A O no hydrogen 2.909 N/A SER 286.A N TRP 284.A O no hydrogen 3.018 N/A GLU 288.A N SER 286.A OG no hydrogen 2.859 N/A ARG 291.A N GLU 287.A O no hydrogen 3.470 N/A VAL 292.A N GLU 288.A O no hydrogen 2.989 N/A LEU 293.A N LEU 289.A O no hydrogen 3.214 N/A ASP 294.A N ASP 290.A O no hydrogen 2.787 N/A GLU 295.A N ARG 291.A O no hydrogen 3.038 N/A GLY 296.A N VAL 292.A O no hydrogen 2.911 N/A ALA 297.A N LEU 293.A O no hydrogen 2.846 N/A GLU 298.A N ASP 294.A O no hydrogen 3.022 N/A LYS 299.A N GLU 295.A O no hydrogen 3.194 N/A ALA 300.A N GLY 296.A O no hydrogen 2.915 N/A ASN 301.A N ALA 297.A O no hydrogen 2.849 N/A ASN 301.A ND2 GLU 81.A O no hydrogen 2.996 N/A ASN 301.A ND2 ALA 297.A O no hydrogen 2.802 N/A ARG 302.A N GLU 298.A O no hydrogen 3.134 N/A ARG 302.A NE GLU 298.A OE1 no hydrogen 3.242 N/A ARG 302.A NE GLU 298.A OE2 no hydrogen 2.483 N/A ARG 302.A NH2 GLU 298.A OE1 no hydrogen 3.053 N/A VAL 303.A N LYS 299.A O no hydrogen 3.176 N/A ALA 304.A N ALA 300.A O no hydrogen 2.803 N/A SER 305.A N ASN 301.A O no hydrogen 2.931 N/A SER 305.A OG.A ASN 301.A O no hydrogen 2.605 N/A SER 305.A OG.A ARG 302.A O no hydrogen 3.204 N/A ARG 308.A N SER 305.A O no hydrogen 3.040 N/A ARG 308.A NE GLU 306.A OE1 no hydrogen 2.860 N/A ARG 308.A NE GLU 306.A OE2 no hydrogen 3.231 N/A ARG 308.A NH2 GLU 306.A OE2 no hydrogen 2.712 N/A LYS 309.A N GLU 306.A O no hydrogen 3.036 N/A LYS 309.A NZ GLU 306.A OE2 no hydrogen 2.482 N/A GLN 311.A N ARG 308.A O no hydrogen 2.897 N/A ALA 312.A N LYS 309.A O no hydrogen 2.943 N/A LEU 314.A N GLU 310.A O no hydrogen 2.952 N/A