Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gcq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH2 PRO 86.A O no hydrogen 2.949 N/A TYR 6.A N VAL 17.A O no hydrogen 2.982 N/A TYR 6.A OH TYR 21.A O no hydrogen 2.778 N/A GLN 8.A N TRP 15.A O no hydrogen 3.074 N/A LEU 10.A N THR 13.A O no hydrogen 2.732 N/A THR 13.A N LEU 10.A O no hydrogen 3.127 N/A THR 13.A OG1 ASN 11.A O no hydrogen 2.972 N/A TRP 15.A N GLN 8.A O no hydrogen 2.802 N/A GLU 16.A N TYR 97.A OH no hydrogen 3.078 N/A VAL 17.A N TYR 6.A O no hydrogen 3.219 N/A GLU 19.A N THR 4.A O no hydrogen 2.809 N/A ARG 20.A NE ASP 37.A OD1 no hydrogen 2.826 N/A ARG 20.A NE ASP 37.A OD2 no hydrogen 3.383 N/A ARG 20.A NH2 ASP 37.A OD2 no hydrogen 2.829 N/A TYR 21.A N PRO 18.A O no hydrogen 2.965 N/A TYR 21.A OH ASP 82.A OD1 no hydrogen 2.633 N/A GLN 22.A N PHE 36.A O no hydrogen 2.777 N/A GLN 22.A NE2 GLU 19.A O no hydrogen 2.529 N/A SER 25.A N ALA 34.A O no hydrogen 2.888 N/A VAL 27.A N VAL 32.A O no hydrogen 2.769 N/A SER 29.A OG GLY 30.A O no hydrogen 3.564 N/A SER 31.A N LYS 48.A O no hydrogen 3.359 N/A VAL 32.A N GLY 28.A O no hydrogen 3.306 N/A CYS 33.A N VAL 46.A O no hydrogen 2.887 N/A ALA 34.A N SER 25.A O no hydrogen 2.814 N/A ALA 35.A N VAL 44.A O no hydrogen 2.860 N/A PHE 36.A N GLN 22.A O no hydrogen 2.650 N/A ASP 37.A N LEU 42.A O no hydrogen 3.001 N/A THR 38.A N ARG 20.A O no hydrogen 2.962 N/A THR 38.A OG1 ARG 20.A O no hydrogen 2.730 N/A LYS 39.A N ASP 37.A OD1 no hydrogen 2.998 N/A THR 40.A N ASP 37.A O no hydrogen 3.104 N/A THR 40.A OG1 ASP 37.A O no hydrogen 3.444 N/A GLY 41.A N ASP 37.A O no hydrogen 2.859 N/A LEU 42.A N THR 40.A OG1 no hydrogen 3.218 N/A VAL 44.A N ALA 35.A O no hydrogen 2.864 N/A ALA 45.A N THR 100.A O no hydrogen 2.697 N/A VAL 46.A N CYS 33.A O no hydrogen 2.740 N/A LYS 47.A N LEU 98.A O no hydrogen 2.779 N/A LYS 48.A N SER 31.A O no hydrogen 2.877 N/A LYS 48.A NZ ILE 14.A O no hydrogen 2.707 N/A LEU 49.A N VAL 96.A O no hydrogen 3.084 N/A GLN 54.A N ARG 51.A O no hydrogen 3.195 N/A HIS 58.A N SER 55.A OG no hydrogen 3.190 N/A ALA 59.A N SER 55.A O no hydrogen 2.990 N/A LYS 60.A N ILE 56.A O no hydrogen 2.970 N/A LYS 60.A NZ ARG 312.A O no hydrogen 3.435 N/A ARG 61.A N ILE 57.A O no hydrogen 2.987 N/A THR 62.A N HIS 58.A O no hydrogen 2.799 N/A THR 62.A OG1 PRO 52.A O no hydrogen 2.987 N/A THR 62.A OG1 HIS 58.A O no hydrogen 2.931 N/A TYR 63.A N ALA 59.A O no hydrogen 2.949 N/A ARG 64.A N LYS 60.A O no hydrogen 2.911 N/A GLU 65.A N ARG 61.A O no hydrogen 2.940 N/A LEU 66.A N THR 62.A O no hydrogen 2.997 N/A ARG 67.A N TYR 63.A O no hydrogen 2.938 N/A ARG 67.A NE TYR 305.A OH no hydrogen 3.312 N/A LEU 68.A N ARG 64.A O no hydrogen 2.896 N/A LEU 69.A N GLU 65.A O no hydrogen 2.993 N/A LYS 70.A N LEU 66.A O no hydrogen 2.969 N/A LYS 70.A NZ GLU 326.A O no hydrogen 2.791 N/A LYS 70.A NZ GLU 326.A OE1 no hydrogen 2.721 N/A LYS 70.A NZ SER 329.A OG no hydrogen 3.023 N/A HIS 71.A N ARG 67.A O no hydrogen 3.162 N/A HIS 71.A NE2 ASP 303.A O no hydrogen 2.886 N/A MET 72.A N LEU 68.A O no hydrogen 3.076 N/A MET 72.A N LEU 69.A O no hydrogen 3.397 N/A LYS 73.A N TYR 134.A OH no hydrogen 2.920 N/A ASN 76.A N HIS 74.A ND1 no hydrogen 2.887 N/A ASN 76.A ND2 LEU 158.A O no hydrogen 3.143 N/A VAL 77.A N HIS 74.A O no hydrogen 3.352 N/A ILE 78.A N ILE 160.A O no hydrogen 2.929 N/A LEU 81.A N VAL 99.A O no hydrogen 2.761 N/A ASP 82.A N VAL 99.A O no hydrogen 3.326 N/A PHE 84.A N TYR 97.A O no hydrogen 2.952 N/A THR 85.A OG1 ASP 95.A O no hydrogen 2.618 N/A ALA 87.A N THR 85.A OG1 no hydrogen 3.420 N/A ARG 88.A N GLU 92.A OE1 no hydrogen 2.750 N/A GLU 92.A N SER 89.A OG no hydrogen 3.227 N/A PHE 93.A N LEU 90.A O no hydrogen 3.076 N/A ASN 94.A ND2 ASN 94.A O no hydrogen 2.773 N/A TYR 97.A N PHE 84.A O no hydrogen 2.882 N/A LEU 98.A N LYS 47.A O no hydrogen 2.898 N/A VAL 99.A N ASP 82.A O no hydrogen 2.791 N/A THR 100.A N ALA 45.A O no hydrogen 3.073 N/A THR 100.A OG1 HIS 101.A O no hydrogen 3.513 N/A LEU 102.A N ARG 43.A O no hydrogen 3.243 N/A LEU 107.A N PRO 147.A O no hydrogen 3.232 N/A LEU 107.A N LEU 150.A O no hydrogen 2.963 N/A ASN 109.A N ASP 106.A O no hydrogen 3.180 N/A ASN 109.A N ASP 106.A OD2 no hydrogen 2.851 N/A ILE 110.A N ASP 106.A O no hydrogen 3.292 N/A VAL 111.A N LEU 107.A O no hydrogen 3.106 N/A LYS 112.A N ASN 108.A O no hydrogen 3.135 N/A HIS 120.A N THR 117.A OG1 no hydrogen 3.227 N/A HIS 120.A NE2 SER 156.A OG no hydrogen 3.024 N/A VAL 121.A N THR 117.A O no hydrogen 2.988 N/A GLN 122.A N ASP 118.A O no hydrogen 2.936 N/A GLN 122.A NE2 GLN 292.A OE1 no hydrogen 3.123 N/A PHE 123.A N ASP 119.A O no hydrogen 3.385 N/A PHE 123.A N HIS 120.A O no hydrogen 3.240 N/A LEU 124.A N HIS 120.A O no hydrogen 3.085 N/A ILE 125.A N VAL 121.A O no hydrogen 2.968 N/A TYR 126.A N GLN 122.A O no hydrogen 3.042 N/A TYR 126.A OH GLU 299.A OE1 no hydrogen 2.617 N/A GLN 127.A N PHE 123.A O no hydrogen 3.111 N/A GLN 127.A NE2 PHE 123.A O no hydrogen 3.191 N/A GLN 127.A NE2 SER 156.A O no hydrogen 2.957 N/A ILE 128.A N LEU 124.A O no hydrogen 3.033 N/A LEU 129.A N ILE 125.A O no hydrogen 2.898 N/A ARG 130.A N TYR 126.A O no hydrogen 2.910 N/A ARG 130.A NE ASP 298.A O no hydrogen 2.814 N/A ARG 130.A NH1 GLU 75.A OE1 no hydrogen 3.306 N/A ARG 130.A NH1 ASN 76.A OD1 no hydrogen 2.779 N/A ARG 130.A NH2 ASP 298.A O no hydrogen 3.043 N/A ARG 130.A NH2 ASP 298.A OD2 no hydrogen 3.261 N/A GLY 131.A N GLN 127.A O no hydrogen 2.935 N/A LEU 132.A N ILE 128.A O no hydrogen 2.906 N/A LYS 133.A N LEU 129.A O no hydrogen 2.832 N/A LYS 133.A NZ GLU 299.A O no hydrogen 2.526 N/A TYR 134.A N ARG 130.A O no hydrogen 3.411 N/A TYR 134.A OH HIS 71.A O no hydrogen 3.357 N/A ILE 135.A N GLY 131.A O no hydrogen 2.883 N/A HIS 136.A N LEU 132.A O no hydrogen 2.723 N/A HIS 136.A NE2 ASP 187.A OD1 no hydrogen 2.748 N/A SER 137.A N LYS 133.A O no hydrogen 3.021 N/A SER 137.A OG LYS 133.A O no hydrogen 3.426 N/A SER 137.A OG TYR 134.A O no hydrogen 2.677 N/A ALA 138.A N ILE 135.A O no hydrogen 3.082 N/A ASP 139.A N HIS 136.A O no hydrogen 2.868 N/A ILE 140.A N ILE 135.A O no hydrogen 3.264 N/A HIS 142.A N ASP 187.A OD1 no hydrogen 2.781 N/A ARG 143.A N ASP 187.A OD2 no hydrogen 2.812 N/A LYS 146.A NZ THR 167.A OG1 no hydrogen 2.532 N/A ASN 149.A N LYS 146.A O no hydrogen 2.885 N/A LEU 150.A N PRO 147.A O no hydrogen 3.119 N/A ALA 151.A N LYS 159.A O no hydrogen 2.933 N/A VAL 152.A N ALA 105.A O no hydrogen 3.012 N/A ASN 153.A N GLU 157.A O no hydrogen 2.980 N/A ASN 153.A ND2 GLU 157.A OE2 no hydrogen 3.195 N/A ASP 155.A N ASN 153.A OD1 no hydrogen 2.805 N/A SER 156.A N ASN 153.A O no hydrogen 2.799 N/A SER 156.A OG HIS 120.A NE2 no hydrogen 3.024 N/A GLU 157.A N ASN 153.A OD1 no hydrogen 2.982 N/A LEU 158.A N GLN 127.A OE1 no hydrogen 2.860 N/A LYS 159.A N ALA 151.A O no hydrogen 2.852 N/A LYS 159.A NZ GLU 75.A O no hydrogen 3.514 N/A LYS 159.A NZ VAL 77.A O no hydrogen 3.207 N/A ILE 160.A N ASN 76.A O no hydrogen 2.845 N/A LEU 161.A N ASN 149.A O no hydrogen 2.944 N/A ARG 168.A NE GLY 207.A O no hydrogen 2.694 N/A ARG 168.A NH2 GLY 207.A O no hydrogen 3.136 N/A TRP 169.A N ALA 166.A O no hydrogen 3.345 N/A TRP 169.A NE1 GLY 207.A O no hydrogen 2.927 N/A TYR 170.A N THR 167.A O no hydrogen 3.085 N/A TYR 170.A OH GLU 197.A OE1 no hydrogen 2.471 N/A TYR 170.A OH GLU 197.A OE2 no hydrogen 3.388 N/A ARG 171.A N ARG 168.A O no hydrogen 3.143 N/A ARG 171.A NE ARG 143.A O no hydrogen 3.292 N/A ARG 171.A NH2 ARG 143.A O no hydrogen 2.791 N/A GLU 174.A N GLU 174.A OE2 no hydrogen 2.809 N/A ILE 175.A N ALA 172.A O no hydrogen 3.066 N/A MET 176.A N ALA 172.A O no hydrogen 3.364 N/A LEU 177.A N PRO 173.A O no hydrogen 3.099 N/A ASN 178.A N ILE 175.A O no hydrogen 3.147 N/A TRP 179.A N GLU 174.A O no hydrogen 2.848 N/A ASN 183.A ND2 THR 185.A OG1 no hydrogen 2.652 N/A THR 185.A OG1 SER 275.A O no hydrogen 3.015 N/A VAL 186.A N ASN 183.A O no hydrogen 3.273 N/A ASP 187.A N GLN 184.A O no hydrogen 3.083 N/A TRP 189.A N THR 185.A O no hydrogen 3.125 N/A SER 190.A N VAL 186.A O no hydrogen 3.329 N/A SER 190.A OG TYR 170.A O no hydrogen 2.710 N/A SER 190.A OG VAL 186.A O no hydrogen 3.351 N/A VAL 191.A N ASP 187.A O no hydrogen 3.043 N/A GLY 192.A N ILE 188.A O no hydrogen 2.987 N/A CYS 193.A N TRP 189.A O no hydrogen 3.057 N/A CYS 193.A SG TRP 169.A O no hydrogen 4.045 N/A CYS 193.A SG TRP 189.A O no hydrogen 3.561 N/A ILE 194.A N SER 190.A O no hydrogen 2.888 N/A MET 195.A N VAL 191.A O no hydrogen 2.693 N/A ALA 196.A N GLY 192.A O no hydrogen 2.905 N/A GLU 197.A N CYS 193.A O no hydrogen 3.219 N/A LEU 198.A N ILE 194.A O no hydrogen 2.949 N/A LEU 199.A N MET 195.A O no hydrogen 3.048 N/A THR 200.A N ALA 196.A O no hydrogen 2.969 N/A THR 200.A OG1 ALA 196.A O no hydrogen 3.097 N/A GLY 201.A N GLU 197.A O no hydrogen 2.681 N/A ARG 202.A N THR 200.A OG1 no hydrogen 2.986 N/A GLY 207.A N PHE 205.A O no hydrogen 2.893 N/A THR 208.A N ASP 212.A OD1 no hydrogen 2.736 N/A THR 208.A OG1 ASP 209.A OD1 no hydrogen 2.940 N/A THR 208.A OG1 ASP 212.A OD1 no hydrogen 3.193 N/A ASP 212.A N ASP 209.A OD2 no hydrogen 3.184 N/A GLN 213.A N ASP 209.A O no hydrogen 2.981 N/A GLN 213.A NE2 TRP 169.A O no hydrogen 3.467 N/A GLN 213.A NE2 PHE 205.A O no hydrogen 2.991 N/A LEU 214.A N HIS 210.A O no hydrogen 3.211 N/A LYS 215.A N ILE 211.A O no hydrogen 2.953 N/A LEU 216.A N ASP 212.A O no hydrogen 3.023 N/A ILE 217.A N GLN 213.A O no hydrogen 3.053 N/A LEU 218.A N LEU 214.A O no hydrogen 2.858 N/A ARG 219.A N LYS 215.A O no hydrogen 3.150 N/A VAL 221.A N ILE 217.A O no hydrogen 2.952 N/A GLY 222.A N LEU 218.A O no hydrogen 2.648 N/A THR 223.A N MET 247.A O no hydrogen 3.146 N/A LEU 229.A N GLY 225.A O no hydrogen 2.818 N/A LYS 230.A N ALA 226.A O no hydrogen 3.307 N/A LYS 231.A N LEU 228.A O no hydrogen 2.942 N/A LYS 231.A NZ ASP 274.A OD1 no hydrogen 3.324 N/A LYS 231.A NZ ASP 274.A OD2 no hydrogen 2.556 N/A LYS 231.A NZ ASP 276.A OD1 no hydrogen 3.244 N/A ILE 232.A N LEU 229.A O no hydrogen 3.195 N/A SER 236.A OG SER 234.A OG no hydrogen 3.223 N/A ALA 237.A N SER 234.A OG no hydrogen 2.851 N/A ARG 238.A N SER 234.A O no hydrogen 2.911 N/A ASN 239.A N GLU 235.A O no hydrogen 2.965 N/A TYR 240.A N SER 236.A O no hydrogen 2.997 N/A ILE 241.A N ALA 237.A O no hydrogen 2.873 N/A GLN 242.A N ARG 238.A O no hydrogen 2.907 N/A SER 243.A N ASN 239.A O no hydrogen 2.859 N/A SER 243.A N TYR 240.A O no hydrogen 3.228 N/A SER 243.A OG ASN 239.A O no hydrogen 2.742 N/A SER 243.A OG ASN 239.A OD1 no hydrogen 3.216 N/A LEU 244.A N ILE 241.A O no hydrogen 3.121 N/A LYS 249.A NZ MET 250.A O no hydrogen 3.135 N/A LYS 249.A NZ GLU 268.A OE1 no hydrogen 3.151 N/A LYS 249.A NZ GLU 268.A OE2 no hydrogen 2.440 N/A MET 250.A N LEU 220.A O no hydrogen 2.975 N/A PHE 252.A N GLU 268.A OE1 no hydrogen 3.085 N/A ASN 254.A N ASN 251.A O no hydrogen 2.957 N/A VAL 255.A N PHE 252.A O no hydrogen 3.071 N/A PHE 256.A N PHE 252.A O no hydrogen 2.762 N/A ALA 259.A N PHE 256.A O no hydrogen 3.167 N/A ASN 260.A ND2 ASP 118.A OD2 no hydrogen 2.862 N/A LEU 262.A N ASN 260.A OD1 no hydrogen 3.057 N/A VAL 264.A N ASN 260.A O no hydrogen 3.008 N/A ASP 265.A N PRO 261.A O no hydrogen 2.903 N/A LEU 266.A N LEU 262.A O no hydrogen 3.098 N/A LEU 267.A N ALA 263.A O no hydrogen 3.019 N/A GLU 268.A N VAL 264.A O no hydrogen 2.985 N/A LYS 269.A N ASP 265.A O no hydrogen 3.179 N/A LYS 269.A N LEU 266.A O no hydrogen 2.827 N/A LYS 269.A NZ ASP 265.A OD1 no hydrogen 3.110 N/A LYS 269.A NZ ASP 265.A OD2 no hydrogen 3.034 N/A MET 270.A N LEU 266.A O no hydrogen 2.940 N/A MET 270.A N LEU 267.A O no hydrogen 3.283 N/A LEU 271.A N LEU 267.A O no hydrogen 2.884 N/A ASP 276.A N ASP 274.A OD1 no hydrogen 3.041 N/A LYS 277.A N ASP 274.A O no hydrogen 2.902 N/A ARG 278.A N SER 275.A O no hydrogen 3.358 N/A ARG 278.A NE VAL 272.A O no hydrogen 2.787 N/A ARG 278.A NH1 GLU 174.A OE1 no hydrogen 2.664 N/A ARG 278.A NH1 GLU 174.A OE2 no hydrogen 3.522 N/A ARG 278.A NH1 THR 185.A O no hydrogen 3.229 N/A ARG 278.A NH2 GLU 174.A OE2 no hydrogen 2.906 N/A ARG 278.A NH2 VAL 272.A O no hydrogen 3.164 N/A ARG 278.A NH2 LEU 273.A O no hydrogen 2.943 N/A ILE 279.A N LYS 269.A O no hydrogen 3.018 N/A THR 280.A N GLN 283.A OE1 no hydrogen 2.925 N/A GLN 283.A N THR 280.A OG1 no hydrogen 3.140 N/A ALA 284.A N THR 280.A O no hydrogen 2.823 N/A LEU 285.A N ALA 281.A O no hydrogen 3.010 N/A ALA 286.A N GLN 283.A O no hydrogen 3.077 N/A HIS 287.A N ALA 284.A O no hydrogen 3.029 N/A HIS 287.A NE2 ASP 265.A OD2 no hydrogen 2.789 N/A TYR 289.A N HIS 287.A ND1 no hydrogen 2.926 N/A TYR 289.A OH ASP 118.A OD1 no hydrogen 2.999 N/A PHE 290.A N HIS 287.A O no hydrogen 2.810 N/A ALA 291.A N ALA 288.A O no hydrogen 3.056 N/A TYR 293.A N PHE 290.A O no hydrogen 2.924 N/A HIS 294.A N PHE 290.A O no hydrogen 2.834 N/A ASP 295.A N GLU 299.A OE1 no hydrogen 3.071 N/A ASP 297.A N ASP 295.A OD1 no hydrogen 2.842 N/A ASP 298.A N ASP 295.A O no hydrogen 2.772 N/A ALA 302.A N SER 137.A OG no hydrogen 2.807 N/A TYR 305.A OH GLU 310.A OE1 no hydrogen 2.796 N/A GLN 307.A NE2 ASP 139.A O no hydrogen 2.644 N/A SER 308.A N ASP 306.A OD1 no hydrogen 2.769 N/A SER 308.A OG ASP 306.A OD1 no hydrogen 2.630 N/A SER 308.A OG ASP 306.A OD2 no hydrogen 3.256 N/A SER 311.A N SER 308.A O no hydrogen 3.176 N/A SER 311.A OG GLN 307.A O no hydrogen 3.470 N/A SER 311.A OG SER 308.A O no hydrogen 2.593 N/A ARG 312.A NE LEU 309.A O no hydrogen 2.666 N/A ARG 312.A NH2 LEU 309.A O no hydrogen 3.197 N/A LEU 315.A N GLU 318.A OE1 no hydrogen 2.883 N/A GLU 318.A N LEU 315.A O no hydrogen 3.144 N/A TRP 319.A N LEU 315.A O no hydrogen 3.167 N/A LYS 320.A N ILE 316.A O no hydrogen 2.942 N/A LYS 320.A NZ PHE 93.A O no hydrogen 2.909 N/A SER 321.A N ASP 317.A O no hydrogen 3.031 N/A LEU 322.A N GLU 318.A O no hydrogen 2.994 N/A THR 323.A N TRP 319.A O no hydrogen 2.878 N/A THR 323.A OG1 TRP 319.A O no hydrogen 2.798 N/A TYR 324.A N LYS 320.A O no hydrogen 3.009 N/A ASP 325.A N SER 321.A O no hydrogen 3.075 N/A GLU 326.A N LEU 322.A O no hydrogen 3.148 N/A VAL 327.A N THR 323.A O no hydrogen 2.953 N/A ILE 328.A N TYR 324.A O no hydrogen 2.963 N/A SER 329.A N ASP 325.A O no hydrogen 2.859 N/A SER 329.A OG ASP 325.A O no hydrogen 2.853 N/A SER 329.A OG GLU 326.A O no hydrogen 3.466 N/A PHE 330.A N VAL 327.A O no hydrogen 3.191 N/A