Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8oue_K.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N ASN 2.A OD1 no hydrogen 2.744 N/A TYR 3.A OH HIS 316.A O no hydrogen 2.937 N/A TYR 3.A OH LEU 321.A O no hydrogen 3.273 N/A SER 4.A N CYS 345.A O no hydrogen 2.869 N/A SER 4.A OG GLN 7.A OE1 no hydrogen 3.567 N/A ARG 10.A N TRP 344.A O no hydrogen 3.043 N/A LEU 12.A N LEU 342.A O no hydrogen 3.038 N/A SER 15.A N LEU 340.A O no hydrogen 3.132 N/A SER 15.A OG TYR 51.A OH no hydrogen 2.992 N/A TRP 16.A N GLU 64.A OE2 no hydrogen 3.010 N/A SER 17.A N GLU 64.A OE2 no hydrogen 2.729 N/A SER 17.A OG GLU 64.A OE1 no hydrogen 2.939 N/A SER 17.A OG GLU 64.A OE2 no hydrogen 2.782 N/A SER 20.A OG SER 17.A O no hydrogen 2.654 N/A THR 21.A N GLU 18.A O no hydrogen 3.389 N/A THR 21.A OG1 GLU 18.A O no hydrogen 2.891 N/A ASN 25.A ND2 PHE 19.A O no hydrogen 2.976 N/A PHE 26.A N ASN 25.A OD1 no hydrogen 2.787 N/A LEU 27.A N SER 326.A O no hydrogen 3.132 N/A LYS 28.A N ASN 42.A O no hydrogen 2.907 N/A LYS 28.A NZ ILE 77.A O no hydrogen 3.288 N/A GLY 29.A N ASN 311.A OD1 no hydrogen 2.767 N/A LYS 31.A N LEU 40.A O no hydrogen 2.831 N/A LYS 31.A NZ ASP 79.A OD1 no hydrogen 3.567 N/A LYS 31.A NZ TYR 80.A O no hydrogen 2.719 N/A TRP 32.A N SER 314.A OG no hydrogen 3.235 N/A TRP 32.A NE1 SER 314.A O no hydrogen 3.155 N/A ALA 33.A N CYS 38.A O no hydrogen 2.853 N/A GLY 36.A N ALA 33.A O no hydrogen 2.873 N/A SER 37.A N ASP 35.A OD1 no hydrogen 3.269 N/A SER 37.A OG SER 88.A OG no hydrogen 3.131 N/A ILE 39.A N TYR 51.A O no hydrogen 2.812 N/A LEU 40.A N LYS 31.A O no hydrogen 2.833 N/A THR 41.A N ARG 49.A O no hydrogen 2.855 N/A THR 41.A OG1 ARG 49.A O no hydrogen 3.389 N/A ASN 42.A ND2 ILE 77.A O no hydrogen 3.343 N/A SER 43.A N ASN 42.A OD1 no hydrogen 2.664 N/A SER 43.A OG PHE 26.A O no hydrogen 3.389 N/A SER 43.A OG ASP 45.A OD1 no hydrogen 3.052 N/A ALA 44.A N PHE 26.A O no hydrogen 2.805 N/A ASN 46.A N SER 43.A O no hydrogen 3.036 N/A ILE 47.A N ASP 45.A OD1 no hydrogen 3.173 N/A LEU 48.A N MET 71.A O no hydrogen 3.232 N/A ARG 49.A N THR 41.A O no hydrogen 2.998 N/A ARG 49.A NE GLU 18.A OE1 no hydrogen 2.858 N/A ARG 49.A NH1 ASP 45.A OD2 no hydrogen 2.660 N/A ARG 49.A NH2 ASP 45.A OD1 no hydrogen 3.371 N/A ARG 49.A NH2 ASP 45.A OD2 no hydrogen 3.162 N/A ILE 50.A N LEU 69.A O no hydrogen 3.204 N/A TYR 51.A N ILE 39.A O no hydrogen 2.832 N/A TYR 51.A OH GLU 18.A OE2 no hydrogen 2.426 N/A LEU 53.A N SER 37.A O no hydrogen 3.110 N/A LEU 57.A N PRO 54.A O no hydrogen 3.433 N/A HIS 59.A N PRO 55.A O no hydrogen 3.125 N/A MET 65.A N GLY 14.A O no hydrogen 3.400 N/A VAL 68.A N ILE 50.A O no hydrogen 2.885 N/A ARG 70.A NE GLU 18.A OE1 no hydrogen 2.922 N/A ARG 70.A NH1 GLU 18.A OE1 no hydrogen 3.001 N/A MET 71.A N LEU 48.A O no hydrogen 2.934 N/A GLU 73.A N ASN 46.A O no hydrogen 2.955 N/A THR 76.A N ASP 75.A OD1 no hydrogen 3.129 N/A TYR 78.A N SER 99.A O no hydrogen 3.021 N/A TYR 80.A N ASP 79.A OD1 no hydrogen 2.749 N/A TYR 80.A OH LYS 28.A O no hydrogen 2.962 N/A CYS 81.A N ALA 97.A O no hydrogen 2.963 N/A CYS 81.A SG TRP 82.A O no hydrogen 3.962 N/A TRP 82.A NE1 LYS 31.A O no hydrogen 2.955 N/A TYR 83.A N TYR 95.A O no hydrogen 3.087 N/A TYR 83.A OH GLY 140.A O no hydrogen 2.929 N/A SER 84.A OG SER 137.A O no hydrogen 3.143 N/A MET 86.A N TYR 83.A O no hydrogen 3.357 N/A SER 87.A N THR 93.A OG1 no hydrogen 3.014 N/A SER 88.A N ASP 35.A OD2 no hydrogen 3.023 N/A SER 88.A OG ASP 35.A OD2 no hydrogen 2.735 N/A GLN 90.A N SER 87.A O no hydrogen 3.212 N/A THR 93.A N GLN 90.A O no hydrogen 3.256 N/A THR 93.A OG1 GLN 90.A O no hydrogen 2.959 N/A SER 94.A N GLN 90.A O no hydrogen 3.399 N/A SER 94.A OG SER 87.A O no hydrogen 2.975 N/A SER 94.A OG GLN 90.A O no hydrogen 3.416 N/A VAL 96.A N TRP 108.A O no hydrogen 2.766 N/A ALA 97.A N CYS 81.A O no hydrogen 2.794 N/A SER 98.A N HIS 106.A O no hydrogen 2.832 N/A SER 98.A OG GLU 73.A OE2 no hydrogen 2.786 N/A SER 99.A N ASP 79.A O no hydrogen 2.964 N/A SER 99.A OG ALA 131.A O no hydrogen 2.624 N/A SER 100.A OG THR 76.A O no hydrogen 3.000 N/A ARG 101.A N THR 76.A O no hydrogen 2.922 N/A ARG 101.A NE GLU 102.A OE2 no hydrogen 3.356 N/A ASN 103.A N SER 100.A O no hydrogen 3.178 N/A ASN 103.A ND2 ARG 101.A O no hydrogen 2.815 N/A ILE 105.A N PHE 119.A O no hydrogen 2.809 N/A HIS 106.A N SER 98.A O no hydrogen 2.765 N/A HIS 106.A ND1 GLU 73.A OE1 no hydrogen 2.906 N/A ILE 107.A N ALA 117.A O no hydrogen 3.033 N/A TRP 108.A N VAL 96.A O no hydrogen 2.773 N/A ASP 109.A N GLU 114.A O no hydrogen 3.149 N/A ALA 110.A N SER 94.A O no hydrogen 3.053 N/A PHE 111.A N ASP 109.A OD1 no hydrogen 3.072 N/A THR 112.A N ASP 109.A OD1 no hydrogen 3.270 N/A GLY 113.A N ASP 109.A O no hydrogen 2.838 N/A ARG 116.A N ILE 107.A O no hydrogen 2.841 N/A ARG 116.A NH1 ASP 92.A O no hydrogen 2.704 N/A ARG 116.A NH2 PRO 91.A O no hydrogen 3.233 N/A ARG 116.A NH2 ASP 109.A OD2 no hydrogen 3.050 N/A ALA 117.A N ILE 107.A O no hydrogen 3.432 N/A PHE 119.A N ILE 105.A O no hydrogen 2.967 N/A ARG 120.A N GLY 160.A O no hydrogen 2.941 N/A ARG 120.A NH2 TYR 122.A OH no hydrogen 3.045 N/A ASN 123.A N GLU 127.A O no hydrogen 2.981 N/A ASP 126.A N ASN 123.A O no hydrogen 2.942 N/A GLU 127.A N ASN 123.A OD1 no hydrogen 2.773 N/A THR 129.A N ALA 121.A O no hydrogen 2.774 N/A THR 129.A OG1 ALA 121.A O no hydrogen 3.168 N/A HIS 132.A N GLY 146.A O no hydrogen 2.929 N/A SER 133.A OG ILE 179.A O no hydrogen 2.772 N/A LEU 134.A N ASP 79.A OD2 no hydrogen 2.901 N/A CYS 135.A N PHE 144.A O no hydrogen 2.793 N/A CYS 135.A SG PHE 136.A O no hydrogen 3.319 N/A CYS 135.A SG ILE 182.A O no hydrogen 3.519 N/A SER 137.A N GLN 142.A O no hydrogen 3.021 N/A SER 137.A OG GLN 142.A O no hydrogen 3.232 N/A GLY 140.A N SER 137.A O no hydrogen 2.984 N/A GLN 142.A N SER 137.A OG no hydrogen 3.054 N/A LEU 143.A N PHE 154.A O no hydrogen 2.785 N/A PHE 144.A N CYS 135.A O no hydrogen 2.759 N/A CYS 145.A N ARG 152.A O no hydrogen 3.092 N/A CYS 145.A SG LEU 143.A O no hydrogen 4.004 N/A CYS 145.A SG ARG 152.A O no hydrogen 3.488 N/A GLY 146.A N SER 133.A O no hydrogen 3.298 N/A GLY 146.A N SER 133.A OG no hydrogen 3.180 N/A PHE 147.A N THR 150.A O no hydrogen 2.778 N/A ARG 149.A N GLY 177.A O no hydrogen 2.987 N/A THR 150.A OG1 VAL 151.A O no hydrogen 3.396 N/A THR 150.A OG1 ARG 166.A O no hydrogen 2.933 N/A VAL 151.A N ARG 166.A O no hydrogen 2.888 N/A ARG 152.A N CYS 145.A O no hydrogen 2.995 N/A VAL 153.A N GLU 164.A O no hydrogen 2.886 N/A PHE 154.A N LEU 143.A O no hydrogen 3.176 N/A THR 156.A N SER 141.A O no hydrogen 2.768 N/A THR 156.A OG1 GLY 140.A O no hydrogen 3.553 N/A THR 156.A OG1 SER 141.A O no hydrogen 2.907 N/A ARG 158.A N SER 155.A O no hydrogen 3.107 N/A ARG 158.A NH2 ASP 162.A OD2 no hydrogen 2.782 N/A ARG 161.A NH1 ASP 126.A OD1 no hydrogen 2.716 N/A CYS 163.A SG ARG 161.A O no hydrogen 3.445 N/A GLU 164.A N VAL 153.A O no hydrogen 3.251 N/A ARG 166.A N VAL 151.A O no hydrogen 2.745 N/A ARG 166.A NE GLU 164.A OE2 no hydrogen 2.937 N/A ARG 166.A NH1 GLU 164.A OE2 no hydrogen 3.026 N/A ARG 166.A NH1 TRP 205.A O no hydrogen 2.956 N/A ARG 166.A NH2 TYR 191.A OH no hydrogen 2.977 N/A ARG 166.A NH2 TRP 205.A O no hydrogen 2.990 N/A THR 168.A N ARG 149.A O no hydrogen 2.978 N/A THR 168.A OG1 GLN 175.A O no hydrogen 3.040 N/A ALA 170.A N GLN 173.A O no hydrogen 3.102 N/A GLN 175.A N THR 168.A O no hydrogen 2.856 N/A GLN 175.A NE2 CYS 193.A O no hydrogen 2.766 N/A GLN 175.A NE2 SER 199.A O no hydrogen 3.102 N/A ILE 179.A N PHE 147.A O no hydrogen 2.964 N/A SER 180.A N GLY 194.A O no hydrogen 2.748 N/A SER 180.A OG GLY 194.A O no hydrogen 3.263 N/A SER 180.A OG ILE 221.A O no hydrogen 2.385 N/A CYS 181.A SG SER 180.A OG no hydrogen 3.652 N/A ALA 183.A N ALA 192.A O no hydrogen 3.142 N/A SER 185.A N LEU 190.A O no hydrogen 3.211 N/A SER 185.A OG GLY 230.A O no hydrogen 3.108 N/A GLN 188.A N SER 185.A OG no hydrogen 3.352 N/A TYR 191.A N TYR 203.A O no hydrogen 2.882 N/A ALA 192.A N ALA 183.A O no hydrogen 2.789 N/A CYS 193.A N GLY 201.A O no hydrogen 2.743 N/A GLY 194.A N CYS 181.A O no hydrogen 2.943 N/A SER 195.A OG SER 176.A O no hydrogen 2.741 N/A SER 195.A OG ILE 178.A O no hydrogen 3.188 N/A SER 195.A OG GLY 197.A O no hydrogen 3.314 N/A TYR 196.A N ILE 178.A O no hydrogen 2.879 N/A GLY 197.A N SER 195.A OG no hydrogen 3.007 N/A ARG 198.A NE GLN 218.A O no hydrogen 3.395 N/A SER 199.A OG LEU 200.A O no hydrogen 3.150 N/A SER 199.A OG LEU 214.A O no hydrogen 2.711 N/A LEU 200.A N LEU 214.A O no hydrogen 2.770 N/A GLY 201.A N CYS 193.A O no hydrogen 2.872 N/A LEU 202.A N ALA 212.A O no hydrogen 3.080 N/A TYR 203.A N TYR 191.A O no hydrogen 2.890 N/A TYR 203.A OH GLN 175.A OE1 no hydrogen 2.740 N/A ALA 204.A N SER 209.A O no hydrogen 3.067 N/A TRP 205.A N PRO 189.A O no hydrogen 3.180 N/A TRP 205.A NE1 GLN 142.A OE1 no hydrogen 2.754 N/A ASP 207.A N ASP 206.A OD1 no hydrogen 2.880 N/A GLY 208.A N ALA 204.A O no hydrogen 2.852 N/A LEU 211.A N LEU 202.A O no hydrogen 2.987 N/A LEU 214.A N LEU 200.A O no hydrogen 2.763 N/A HIS 217.A N GLY 215.A O no hydrogen 3.114 N/A HIS 217.A NE2 GLU 242.A O no hydrogen 3.190 N/A GLN 218.A N ASP 240.A OD2 no hydrogen 2.637 N/A GLN 218.A NE2 GLY 216.A O no hydrogen 2.977 N/A ILE 221.A N SER 195.A O no hydrogen 2.915 N/A THR 222.A N GLY 236.A O no hydrogen 2.849 N/A THR 222.A OG1 GLY 236.A O no hydrogen 3.289 N/A HIS 223.A N GLY 236.A O no hydrogen 3.417 N/A CYS 225.A N PHE 234.A O no hydrogen 3.098 N/A CYS 225.A SG HIS 223.A NE2 no hydrogen 3.620 N/A CYS 225.A SG LEU 224.A O no hydrogen 3.384 N/A CYS 225.A SG PHE 270.A O no hydrogen 3.706 N/A HIS 227.A N ARG 232.A O no hydrogen 2.878 N/A ASP 229.A N HIS 227.A ND1 no hydrogen 3.269 N/A GLY 230.A N HIS 227.A O no hydrogen 2.963 N/A ARG 232.A NH1 ASP 229.A OD2 no hydrogen 3.560 N/A PHE 233.A N TRP 246.A O no hydrogen 3.333 N/A PHE 234.A N CYS 225.A O no hydrogen 2.851 N/A SER 235.A N LEU 244.A O no hydrogen 3.015 N/A SER 235.A OG LEU 244.A O no hydrogen 3.547 N/A GLY 236.A N HIS 223.A O no hydrogen 3.297 N/A ARG 238.A N GLY 220.A O no hydrogen 2.883 N/A LYS 239.A N THR 264.A O no hydrogen 3.157 N/A GLU 242.A N ASP 240.A OD1 no hydrogen 3.250 N/A LEU 243.A N LEU 258.A O no hydrogen 2.678 N/A LEU 244.A N SER 235.A O no hydrogen 3.001 N/A CYS 245.A N TRP 256.A O no hydrogen 3.082 N/A TRP 246.A N PHE 233.A O no hydrogen 2.725 N/A TRP 246.A NE1 SER 235.A OG no hydrogen 2.629 N/A LEU 248.A N ASN 231.A O no hydrogen 2.878 N/A ARG 249.A N ASP 247.A OD1 no hydrogen 3.237 N/A ARG 249.A NE ASP 247.A OD1 no hydrogen 3.487 N/A ARG 249.A NE ASP 247.A OD2 no hydrogen 3.342 N/A ARG 249.A NH1 ASP 247.A OD2 no hydrogen 3.081 N/A LEU 255.A N CYS 245.A O no hydrogen 3.001 N/A LEU 258.A N LEU 243.A O no hydrogen 2.946 N/A ARG 260.A N ALA 241.A O no hydrogen 2.764 N/A ARG 260.A NH1 ALA 237.A O no hydrogen 3.567 N/A ARG 260.A NH2 ILE 268.A O no hydrogen 2.952 N/A ARG 260.A NH2 SER 281.A OG no hydrogen 3.052 N/A THR 263.A N THR 284.A OG1 no hydrogen 3.403 N/A THR 264.A OG1 GLN 266.A OE1 no hydrogen 2.922 N/A THR 264.A OG1 THR 284.A OG1 no hydrogen 3.354 N/A ARG 267.A NH2 SER 180.A O no hydrogen 2.958 N/A TYR 269.A N ASN 311.A O no hydrogen 2.830 N/A ASP 271.A N VAL 280.A O no hydrogen 2.794 N/A ASP 273.A N PHE 278.A O no hydrogen 3.129 N/A LEU 279.A N TRP 291.A O no hydrogen 2.749 N/A VAL 280.A N ASP 271.A O no hydrogen 2.830 N/A SER 281.A N SER 289.A O no hydrogen 3.026 N/A SER 281.A OG GLY 282.A O no hydrogen 3.197 N/A GLY 282.A N TYR 269.A O no hydrogen 3.245 N/A SER 283.A N THR 310.A O no hydrogen 3.122 N/A SER 283.A OG GLU 261.A O no hydrogen 2.717 N/A SER 283.A OG SER 285.A OG no hydrogen 2.849 N/A THR 284.A N GLU 261.A O no hydrogen 2.888 N/A THR 284.A OG1 THR 264.A OG1 no hydrogen 3.354 N/A SER 285.A OG SER 283.A OG no hydrogen 2.849 N/A VAL 288.A N PHE 303.A O no hydrogen 2.816 N/A SER 289.A N SER 281.A O no hydrogen 3.040 N/A VAL 290.A N LEU 301.A O no hydrogen 2.877 N/A TRP 291.A N LEU 279.A O no hydrogen 2.845 N/A ASP 292.A N GLU 298.A O no hydrogen 2.822 N/A THR 293.A N GLN 277.A O no hydrogen 2.681 N/A THR 293.A OG1 GLY 276.A O no hydrogen 2.888 N/A THR 293.A OG1 GLN 277.A O no hydrogen 2.794 N/A ASP 294.A N ASP 292.A OD1 no hydrogen 3.438 N/A LYS 296.A NZ SER 257.A O no hydrogen 3.242 N/A GLU 298.A N ASP 292.A O no hydrogen 3.006 N/A VAL 300.A N VAL 290.A O no hydrogen 2.860 N/A LEU 301.A N VAL 290.A O no hydrogen 3.464 N/A PHE 303.A N VAL 288.A O no hydrogen 3.205 N/A GLN 306.A NE2 ASP 308.A O no hydrogen 3.265 N/A GLN 306.A NE2 THR 310.A OG1 no hydrogen 2.758 N/A CYS 309.A N ASP 308.A OD1 no hydrogen 2.713 N/A CYS 309.A SG GLN 266.A OE1 no hydrogen 3.653 N/A CYS 309.A SG SER 283.A O no hydrogen 3.748 N/A CYS 309.A SG GLY 327.A O no hydrogen 3.769 N/A THR 310.A N SER 283.A O no hydrogen 2.877 N/A THR 310.A OG1 GLY 286.A O no hydrogen 2.716 N/A ASN 311.A ND2 GLY 327.A O no hydrogen 3.069 N/A GLY 312.A N ALA 325.A O no hydrogen 3.285 N/A SER 314.A N ALA 323.A O no hydrogen 3.085 N/A LEU 315.A N ASP 271.A OD2 no hydrogen 3.102 N/A HIS 316.A N LEU 321.A O no hydrogen 3.034 N/A HIS 316.A NE2 GLY 36.A O no hydrogen 2.752 N/A SER 318.A N HIS 316.A ND1 no hydrogen 3.405 N/A LEU 319.A N HIS 316.A ND1 no hydrogen 3.330 N/A LEU 322.A N TRP 343.A O no hydrogen 2.858 N/A ALA 323.A N SER 314.A O no hydrogen 2.850 N/A THR 324.A N GLN 341.A O no hydrogen 2.801 N/A THR 324.A OG1 GLN 341.A O no hydrogen 3.322 N/A ALA 325.A N GLY 312.A O no hydrogen 3.010 N/A SER 326.A OG ARG 339.A O no hydrogen 2.897 N/A GLY 327.A N CYS 309.A O no hydrogen 3.019 N/A GLN 328.A NE2 ASP 308.A OD1 no hydrogen 3.337 N/A VAL 330.A N GLU 24.A OE2 no hydrogen 3.004 N/A CYS 338.A SG ASN 25.A O no hydrogen 3.190 N/A ARG 339.A N SER 326.A OG no hydrogen 2.721 N/A ARG 339.A NE GLU 337.A O no hydrogen 3.350 N/A ARG 339.A NH1 GLU 337.A O no hydrogen 3.307 N/A LEU 340.A N SER 15.A O no hydrogen 3.130 N/A GLN 341.A N THR 324.A O no hydrogen 2.933 N/A GLN 341.A NE2 PRO 305.A O no hydrogen 3.476 N/A TRP 343.A NE1 THR 324.A OG1 no hydrogen 3.010 N/A TRP 344.A N ARG 10.A O no hydrogen 2.908 N/A CYS 345.A N PRO 320.A O no hydrogen 2.850 N/A CYS 345.A SG TRP 343.A O no hydrogen 3.508 N/A