Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3iuc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N SER 379.A O no hydrogen 3.440 N/A VAL 4.A N HIS 140.A O no hydrogen 3.240 N/A GLY 5.A N GLY 16.A O no hydrogen 2.938 N/A ILE 6.A N VAL 142.A O no hydrogen 2.786 N/A ASP 7.A N CYS 14.A O no hydrogen 2.934 N/A GLY 9.A N SER 13.A OG no hydrogen 3.363 N/A SER 13.A N THR 35.A O no hydrogen 2.697 N/A SER 13.A OG SER 37.A OG no hydrogen 2.843 N/A CYS 14.A N ASP 7.A O no hydrogen 2.938 N/A CYS 14.A SG ARG 33.A O no hydrogen 3.500 N/A GLY 16.A N GLY 5.A O no hydrogen 2.875 N/A VAL 17.A N GLU 24.A O no hydrogen 2.841 N/A LYS 19.A N ARG 22.A O no hydrogen 3.173 N/A GLU 24.A N VAL 17.A O no hydrogen 2.801 N/A ILE 26.A N VAL 15.A O no hydrogen 2.905 N/A ASN 28.A N ASN 32.A O no hydrogen 2.825 N/A ASN 28.A ND2 THR 35.A OG1 no hydrogen 2.726 N/A ASN 28.A ND2 ASP 51.A OD2 no hydrogen 3.510 N/A GLN 30.A N ASN 28.A OD1 no hydrogen 3.121 N/A GLY 31.A N ASN 28.A O no hydrogen 2.864 N/A ASN 32.A N ASN 28.A OD1 no hydrogen 2.775 N/A ARG 33.A NE GLU 365.A OE2 no hydrogen 2.749 N/A ARG 33.A NH1 GLU 365.A OE1 no hydrogen 3.341 N/A THR 35.A N SER 13.A O no hydrogen 2.782 N/A SER 37.A N THR 11.A O no hydrogen 2.848 N/A SER 37.A OG GLY 9.A O no hydrogen 3.137 N/A SER 37.A OG SER 13.A OG no hydrogen 2.843 N/A VAL 39.A N VAL 65.A O no hydrogen 2.856 N/A ALA 40.A N LEU 48.A O no hydrogen 2.881 N/A PHE 41.A N ASN 63.A O no hydrogen 2.879 N/A THR 42.A N GLU 46.A O no hydrogen 2.815 N/A THR 42.A OG1 GLU 46.A O no hydrogen 3.063 N/A GLY 45.A N THR 42.A O no hydrogen 3.062 N/A GLU 46.A N THR 42.A OG1 no hydrogen 2.903 N/A LEU 48.A N ALA 40.A O no hydrogen 2.883 N/A GLY 50.A N TYR 38.A O no hydrogen 2.994 N/A LYS 54.A N GLY 50.A O no hydrogen 2.922 N/A ASN 55.A N ASP 51.A O no hydrogen 2.895 N/A GLN 56.A N ALA 53.A O no hydrogen 3.423 N/A LEU 57.A N LYS 54.A O no hydrogen 3.309 N/A ASN 60.A ND2 PHE 41.A O no hydrogen 2.999 N/A ASN 63.A N ASN 60.A O no hydrogen 3.330 N/A ASN 63.A ND2 ASN 60.A OD1 no hydrogen 3.306 N/A THR 64.A OG1 GLN 56.A O no hydrogen 3.491 N/A THR 64.A OG1 GLN 56.A OE1 no hydrogen 3.444 N/A THR 64.A OG1 ASN 60.A O no hydrogen 2.833 N/A VAL 65.A N VAL 39.A O no hydrogen 2.612 N/A LYS 69.A NZ LEU 8.A O no hydrogen 2.886 N/A LYS 69.A NZ GLU 174.A OE2 no hydrogen 2.631 N/A ARG 70.A N ASP 67.A O no hydrogen 3.029 N/A ARG 70.A NE ASP 67.A OD2 no hydrogen 2.852 N/A ARG 70.A NH1 THR 224.A O no hydrogen 3.043 N/A ARG 70.A NH2 GLY 201.A O no hydrogen 2.934 N/A LEU 71.A N ALA 68.A O no hydrogen 2.869 N/A ARG 74.A N LEU 71.A O no hydrogen 3.129 N/A ARG 74.A NH1 ASP 78.A OD1 no hydrogen 2.884 N/A TRP 76.A N THR 97.A O no hydrogen 3.154 N/A ASP 78.A N THR 75.A O no hydrogen 3.243 N/A SER 80.A N ASP 78.A OD2 no hydrogen 3.204 N/A GLN 82.A N ASP 78.A O no hydrogen 3.056 N/A GLN 82.A NE2 TRP 76.A O no hydrogen 2.399 N/A GLN 83.A N PRO 79.A O no hydrogen 3.069 N/A ASP 84.A N SER 80.A O no hydrogen 2.967 N/A ILE 85.A N VAL 81.A O no hydrogen 2.953 N/A LYS 86.A N GLN 83.A O no hydrogen 3.046 N/A PHE 87.A N ASP 84.A O no hydrogen 2.694 N/A LEU 88.A N ILE 85.A O no hydrogen 3.436 N/A VAL 93.A N TYR 100.A O no hydrogen 2.820 N/A LYS 95.A N LYS 98.A O no hydrogen 3.093 N/A LYS 98.A N LYS 95.A O no hydrogen 2.919 N/A TYR 100.A N VAL 93.A O no hydrogen 2.850 N/A ILE 101.A N PHE 113.A O no hydrogen 2.801 N/A GLN 102.A N LYS 91.A O no hydrogen 2.904 N/A VAL 103.A N LYS 111.A O no hydrogen 3.097 N/A ASP 104.A N ASN 63.A OD1 no hydrogen 2.720 N/A ILE 105.A N GLN 109.A O no hydrogen 2.738 N/A GLN 109.A N GLY 106.A O no hydrogen 3.363 N/A LYS 111.A N VAL 103.A O no hydrogen 3.135 N/A PHE 113.A N ILE 101.A O no hydrogen 2.766 N/A ALA 114.A N GLU 117.A OE1 no hydrogen 2.860 N/A GLU 117.A N ALA 114.A O no hydrogen 2.760 N/A ILE 118.A N ALA 114.A O no hydrogen 3.250 N/A SER 119.A N PRO 115.A O no hydrogen 2.951 N/A ALA 120.A N GLU 116.A O no hydrogen 2.746 N/A MET 121.A N GLU 117.A O no hydrogen 3.093 N/A VAL 122.A N ILE 118.A O no hydrogen 3.163 N/A LEU 123.A N SER 119.A O no hydrogen 2.845 N/A THR 124.A N ALA 120.A O no hydrogen 2.834 N/A THR 124.A OG1 ALA 120.A O no hydrogen 3.346 N/A LYS 125.A N MET 121.A O no hydrogen 3.160 N/A MET 126.A N VAL 122.A O no hydrogen 3.083 N/A LYS 127.A N LEU 123.A O no hydrogen 2.740 N/A LYS 127.A NZ ALA 164.A O no hydrogen 3.440 N/A GLU 128.A N THR 124.A O no hydrogen 2.955 N/A THR 129.A N LYS 125.A O no hydrogen 2.949 N/A THR 129.A OG1 MET 126.A O no hydrogen 3.022 N/A ALA 130.A N MET 126.A O no hydrogen 2.935 N/A GLU 131.A N LYS 127.A O no hydrogen 2.947 N/A ALA 132.A N GLU 128.A O no hydrogen 3.073 N/A TYR 133.A N THR 129.A O no hydrogen 3.471 N/A LEU 134.A N ALA 130.A O no hydrogen 2.874 N/A VAL 138.A N GLU 131.A OE2 no hydrogen 2.869 N/A THR 139.A OG1 HIS 140.A ND1 no hydrogen 2.580 N/A HIS 140.A ND1 THR 139.A OG1 no hydrogen 2.580 N/A ALA 141.A N ASN 167.A O no hydrogen 3.045 N/A VAL 142.A N VAL 4.A O no hydrogen 2.658 N/A VAL 143.A N ARG 170.A O no hydrogen 3.262 N/A THR 144.A N ILE 6.A O no hydrogen 3.033 N/A THR 144.A OG1 ILE 6.A O no hydrogen 3.483 N/A VAL 145.A N ILE 172.A O no hydrogen 2.982 N/A PHE 149.A N PRO 146.A O no hydrogen 3.127 N/A ASN 150.A N GLN 153.A OE1 no hydrogen 2.749 N/A GLN 153.A N ASN 150.A OD1 no hydrogen 2.966 N/A ARG 154.A N ASN 150.A O no hydrogen 2.990 N/A ARG 154.A NE PHE 149.A O no hydrogen 3.046 N/A ARG 154.A NH1 ASN 173.A OD1 no hydrogen 2.997 N/A ARG 154.A NH2 PHE 149.A O no hydrogen 3.182 N/A ARG 154.A NH2 ASN 173.A OD1 no hydrogen 2.752 N/A GLN 155.A N ASP 151.A O no hydrogen 2.645 N/A GLN 155.A NE2 ASP 159.A OD1 no hydrogen 2.552 N/A ALA 156.A N ALA 152.A O no hydrogen 2.947 N/A THR 157.A N GLN 153.A O no hydrogen 2.904 N/A THR 157.A OG1 GLN 153.A O no hydrogen 2.849 N/A LYS 158.A N ARG 154.A O no hydrogen 2.890 N/A ASP 159.A N GLN 155.A O no hydrogen 2.729 N/A ALA 160.A N ALA 156.A O no hydrogen 2.894 N/A GLY 161.A N THR 157.A O no hydrogen 3.232 N/A THR 162.A N LYS 158.A O no hydrogen 3.102 N/A THR 162.A OG1 LYS 158.A O no hydrogen 3.359 N/A ILE 163.A N ASP 159.A O no hydrogen 2.821 N/A ALA 164.A N ALA 160.A O no hydrogen 2.894 N/A GLY 165.A N THR 162.A O no hydrogen 2.757 N/A LEU 166.A N GLY 161.A O no hydrogen 2.887 N/A ASN 167.A N THR 139.A O no hydrogen 2.683 N/A ILE 172.A N VAL 143.A O no hydrogen 3.268 N/A GLU 174.A N VAL 145.A O no hydrogen 2.878 N/A ALA 177.A N ASN 173.A O no hydrogen 3.042 N/A ALA 178.A N GLU 174.A O no hydrogen 2.889 N/A ALA 179.A N PRO 175.A O no hydrogen 2.797 N/A ILE 180.A N THR 176.A O no hydrogen 2.733 N/A ALA 181.A N ALA 177.A O no hydrogen 2.859 N/A TYR 182.A N ALA 178.A O no hydrogen 3.300 N/A GLY 183.A N ILE 180.A O no hydrogen 3.203 N/A LEU 184.A N ALA 179.A O no hydrogen 3.263 N/A LYS 186.A N GLY 183.A O no hydrogen 3.360 N/A ARG 187.A NE ASP 185.A O no hydrogen 2.949 N/A GLY 189.A N ASN 212.A OD1 no hydrogen 3.384 N/A LYS 191.A N ILE 210.A O no hydrogen 2.829 N/A ASN 192.A N ASP 330.A OD2 no hydrogen 2.764 N/A ASN 192.A ND2 ASP 328.A O no hydrogen 3.056 N/A ILE 193.A N LEU 208.A O no hydrogen 2.793 N/A LEU 194.A N GLU 331.A O no hydrogen 2.994 N/A VAL 195.A N SER 206.A O no hydrogen 2.875 N/A PHE 196.A N VAL 333.A O no hydrogen 2.806 N/A ASP 197.A N ASP 204.A O no hydrogen 2.759 N/A LEU 198.A N VAL 335.A O no hydrogen 2.922 N/A GLY 199.A N THR 202.A O no hydrogen 3.234 N/A PHE 203.A N ASP 223.A O no hydrogen 3.002 N/A ASP 204.A N ASP 197.A O no hydrogen 2.898 N/A VAL 205.A N ASN 221.A O no hydrogen 2.799 N/A SER 206.A N VAL 195.A O no hydrogen 2.924 N/A LEU 207.A N ALA 219.A O no hydrogen 2.920 N/A LEU 208.A N ILE 193.A O no hydrogen 2.740 N/A THR 209.A N GLU 216.A O no hydrogen 2.795 N/A ILE 210.A N LYS 191.A O no hydrogen 2.883 N/A ASP 211.A N VAL 214.A O no hydrogen 2.941 N/A VAL 214.A N ASP 211.A O no hydrogen 3.125 N/A GLU 216.A N THR 209.A O no hydrogen 2.813 N/A VAL 218.A N LEU 207.A O no hydrogen 2.875 N/A ALA 219.A N LEU 207.A O no hydrogen 3.504 N/A ASN 221.A N VAL 205.A O no hydrogen 2.806 N/A ASN 221.A ND2 THR 220.A O no hydrogen 3.644 N/A GLY 222.A N ASN 221.A OD1 no hydrogen 2.694 N/A ASP 223.A N PHE 203.A O no hydrogen 3.001 N/A THR 224.A OG1 HIS 225.A ND1 no hydrogen 2.633 N/A HIS 225.A ND1 THR 224.A OG1 no hydrogen 2.633 N/A HIS 225.A NE2 ASP 84.A OD1 no hydrogen 2.573 N/A LEU 226.A N ASP 223.A O no hydrogen 3.380 N/A GLY 227.A N ASP 230.A OD2 no hydrogen 2.856 N/A GLY 228.A N GLY 199.A O no hydrogen 2.874 N/A GLU 229.A N GLY 200.A O no hydrogen 2.761 N/A ASP 230.A N GLY 227.A O no hydrogen 2.896 N/A ASP 232.A N GLY 228.A O no hydrogen 3.140 N/A GLN 233.A N GLU 229.A O no hydrogen 3.060 N/A ARG 234.A N ASP 230.A O no hydrogen 3.052 N/A ARG 234.A NH1 LEU 303.A O no hydrogen 3.228 N/A ARG 234.A NH1 ASP 306.A OD1 no hydrogen 3.059 N/A VAL 235.A N PHE 231.A O no hydrogen 3.442 N/A MET 236.A N ASP 232.A O no hydrogen 2.862 N/A GLU 237.A N GLN 233.A O no hydrogen 3.002 N/A HIS 238.A N ARG 234.A O no hydrogen 3.184 N/A PHE 239.A N VAL 235.A O no hydrogen 3.063 N/A ILE 240.A N MET 236.A O no hydrogen 2.877 N/A LYS 241.A N GLU 237.A O no hydrogen 3.243 N/A LEU 242.A N HIS 238.A O no hydrogen 3.066 N/A TYR 243.A N PHE 239.A O no hydrogen 2.783 N/A TYR 243.A OH ASP 290.A O no hydrogen 2.835 N/A LYS 244.A N ILE 240.A O no hydrogen 3.236 N/A LYS 245.A N LYS 241.A O no hydrogen 3.096 N/A LYS 246.A N LEU 242.A O no hydrogen 3.218 N/A LYS 246.A N TYR 243.A O no hydrogen 3.185 N/A THR 247.A N TYR 243.A O no hydrogen 2.969 N/A THR 247.A OG1 TYR 243.A O no hydrogen 2.750 N/A GLY 248.A N LYS 244.A O no hydrogen 2.744 N/A LYS 249.A N THR 247.A OG1 no hydrogen 2.989 N/A ARG 252.A NH1 GLU 237.A OE1 no hydrogen 3.354 N/A ARG 252.A NH1 GLU 237.A OE2 no hydrogen 3.042 N/A ARG 252.A NH2 GLU 237.A OE1 no hydrogen 3.110 N/A ASP 254.A N VAL 251.A O no hydrogen 2.883 N/A ALA 257.A N ASP 254.A OD2 no hydrogen 3.078 N/A VAL 258.A N ASP 254.A O no hydrogen 2.911 N/A GLN 259.A N ASN 255.A O no hydrogen 3.087 N/A GLN 259.A NE2 ARG 256.A O no hydrogen 3.629 N/A LYS 260.A N ARG 256.A O no hydrogen 3.333 N/A LEU 261.A N ALA 257.A O no hydrogen 3.008 N/A LEU 261.A N VAL 258.A O no hydrogen 3.011 N/A ARG 262.A N VAL 258.A O no hydrogen 2.916 N/A ARG 263.A N GLN 259.A O no hydrogen 3.020 N/A GLU 264.A N LYS 260.A O no hydrogen 3.195 N/A VAL 265.A N LEU 261.A O no hydrogen 2.747 N/A GLU 266.A N ARG 262.A O no hydrogen 2.789 N/A LYS 267.A N ARG 263.A O no hydrogen 3.117 N/A ALA 268.A N GLU 264.A O no hydrogen 2.826 N/A LYS 269.A N VAL 265.A O no hydrogen 2.819 N/A LYS 269.A NZ GLY 228.A O no hydrogen 2.749 N/A LYS 269.A NZ ASP 232.A OD1 no hydrogen 2.838 N/A LYS 269.A NZ GLU 266.A OE1 no hydrogen 3.357 N/A ARG 270.A N GLU 266.A O no hydrogen 3.146 N/A ARG 270.A NE GLU 266.A OE2 no hydrogen 2.452 N/A ALA 271.A N LYS 267.A O no hydrogen 3.051 N/A LEU 272.A N ALA 268.A O no hydrogen 2.837 N/A SER 273.A N ARG 270.A O no hydrogen 3.016 N/A SER 273.A OG ARG 340.A O no hydrogen 3.278 N/A SER 274.A N ALA 271.A O no hydrogen 2.793 N/A ALA 278.A N LEU 295.A O no hydrogen 2.959 N/A ILE 280.A N GLU 293.A O no hydrogen 2.776 N/A ILE 282.A N PHE 291.A O no hydrogen 2.966 N/A PHE 285.A N GLU 289.A O no hydrogen 2.782 N/A TYR 286.A N GLU 289.A O no hydrogen 3.167 N/A GLU 289.A N TYR 286.A O no hydrogen 2.923 N/A PHE 291.A N ILE 282.A O no hydrogen 2.983 N/A GLU 293.A N ILE 280.A O no hydrogen 3.066 N/A LEU 295.A N ALA 278.A O no hydrogen 2.891 N/A ARG 297.A N HIS 276.A O no hydrogen 2.825 N/A ARG 297.A NE LEU 272.A O no hydrogen 2.746 N/A ARG 297.A NH2 LEU 272.A O no hydrogen 3.040 N/A ARG 297.A NH2 GLN 275.A O no hydrogen 2.756 N/A LYS 299.A N THR 296.A OG1 no hydrogen 2.865 N/A LYS 299.A NZ GLU 302.A OE1 no hydrogen 2.707 N/A LYS 299.A NZ GLU 302.A OE2 no hydrogen 2.781 N/A PHE 300.A N THR 296.A O no hydrogen 3.049 N/A GLU 301.A N ARG 297.A O no hydrogen 2.929 N/A GLU 302.A N ALA 298.A O no hydrogen 2.854 N/A LEU 303.A N LYS 299.A O no hydrogen 2.868 N/A ASN 304.A N PHE 300.A O no hydrogen 3.289 N/A ASN 304.A N GLU 301.A O no hydrogen 3.250 N/A ASN 304.A ND2 PHE 300.A O no hydrogen 2.817 N/A MET 305.A N GLU 302.A O no hydrogen 3.342 N/A PHE 308.A N ASN 304.A O no hydrogen 2.929 N/A ARG 309.A N MET 305.A O no hydrogen 3.051 N/A SER 310.A N ASP 306.A O no hydrogen 2.950 N/A SER 310.A OG ASP 306.A O no hydrogen 3.430 N/A SER 310.A OG LEU 307.A O no hydrogen 2.864 N/A THR 311.A N PHE 308.A O no hydrogen 3.178 N/A THR 311.A OG1 PHE 308.A O no hydrogen 2.711 N/A MET 312.A N ARG 309.A O no hydrogen 3.024 N/A GLN 316.A N MET 312.A O no hydrogen 3.134 N/A LYS 317.A N LYS 313.A O no hydrogen 2.924 N/A LYS 317.A NZ GLU 320.A OE1 no hydrogen 3.282 N/A VAL 318.A N PRO 314.A O no hydrogen 2.962 N/A LEU 319.A N VAL 315.A O no hydrogen 3.201 N/A GLU 320.A N GLN 316.A O no hydrogen 2.988 N/A ASP 321.A N LYS 317.A O no hydrogen 3.090 N/A SER 322.A N VAL 318.A O no hydrogen 3.323 N/A SER 322.A OG VAL 318.A O no hydrogen 2.890 N/A ASP 323.A N GLU 320.A O no hydrogen 2.923 N/A LEU 324.A N LEU 319.A O no hydrogen 2.927 N/A LYS 325.A N ASP 328.A OD2 no hydrogen 2.745 N/A LYS 326.A NZ PHE 351.A O no hydrogen 2.729 N/A ASP 328.A N LYS 325.A O no hydrogen 2.810 N/A ILE 329.A N LYS 326.A O no hydrogen 3.084 N/A ASP 330.A N ASN 192.A O no hydrogen 2.740 N/A VAL 333.A N LEU 194.A O no hydrogen 2.807 N/A VAL 335.A N PHE 196.A O no hydrogen 3.081 N/A GLY 336.A N PRO 363.A O no hydrogen 2.860 N/A SER 338.A N LEU 198.A O no hydrogen 2.996 N/A SER 338.A OG GLY 199.A O no hydrogen 2.927 N/A THR 339.A N GLY 336.A O no hydrogen 2.801 N/A THR 339.A OG1 GLY 336.A O no hydrogen 2.802 N/A ARG 340.A N GLY 337.A O no hydrogen 3.164 N/A ARG 340.A NE ASP 364.A OD1 no hydrogen 2.877 N/A ARG 340.A NE ASP 364.A OD2 no hydrogen 3.412 N/A ARG 340.A NH2 ASP 364.A OD1 no hydrogen 2.776 N/A ILE 341.A N SER 338.A O no hydrogen 3.316 N/A GLN 345.A N ILE 341.A O no hydrogen 3.106 N/A GLN 345.A NE2 THR 339.A O no hydrogen 2.758 N/A GLN 346.A N PRO 342.A O no hydrogen 2.657 N/A LEU 347.A N LYS 343.A O no hydrogen 2.787 N/A VAL 348.A N ILE 344.A O no hydrogen 3.077 N/A VAL 348.A N GLN 345.A O no hydrogen 3.201 N/A LYS 349.A N GLN 345.A O no hydrogen 2.949 N/A GLU 350.A N GLN 346.A O no hydrogen 2.912 N/A PHE 351.A N LEU 347.A O no hydrogen 3.037 N/A PHE 352.A N VAL 348.A O no hydrogen 3.055 N/A ASN 353.A N GLU 350.A O no hydrogen 2.910 N/A GLY 354.A N LYS 349.A O no hydrogen 3.073 N/A LYS 355.A N PHE 352.A O no hydrogen 3.097 N/A LYS 355.A NZ ASP 330.A O no hydrogen 3.049 N/A SER 358.A N ILE 332.A O no hydrogen 3.060 N/A SER 358.A OG GLU 331.A OE2 no hydrogen 2.820 N/A SER 358.A OG ILE 332.A O no hydrogen 3.542 N/A ASP 364.A N ASN 362.A OD1 no hydrogen 2.910 N/A GLU 365.A N ASN 362.A O no hydrogen 2.838 N/A TYR 369.A N GLU 365.A O no hydrogen 2.898 N/A GLY 370.A N ALA 366.A O no hydrogen 3.019 N/A ALA 371.A N VAL 367.A O no hydrogen 3.068 N/A ALA 372.A N ALA 368.A O no hydrogen 2.841 N/A VAL 373.A N TYR 369.A O no hydrogen 3.054 N/A GLN 374.A N GLY 370.A O no hydrogen 3.243 N/A ALA 375.A N ALA 371.A O no hydrogen 2.824 N/A GLY 376.A N ALA 372.A O no hydrogen 2.991 N/A VAL 377.A N VAL 373.A O no hydrogen 3.115 N/A LEU 378.A N GLN 374.A O no hydrogen 2.779 N/A SER 379.A N ALA 375.A O no hydrogen 2.702 N/A