Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5bue_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLN 7.A O no hydrogen 2.786 N/A GLN 7.A N VAL 4.A O no hydrogen 3.302 N/A PHE 9.A N GLU 2.A O no hydrogen 2.882 N/A ASP 10.A N TYR 92.A OH no hydrogen 3.102 N/A VAL 11.A N PHE 9.A O no hydrogen 3.019 N/A ARG 14.A NE ASP 34.A OD1 no hydrogen 2.827 N/A ARG 14.A NH2 ASP 34.A OD1 no hydrogen 3.259 N/A ARG 14.A NH2 ASP 34.A OD2 no hydrogen 2.825 N/A TYR 15.A N VAL 11.A O no hydrogen 3.446 N/A TYR 15.A OH ASP 78.A OD2 no hydrogen 2.782 N/A THR 16.A N TYR 33.A O no hydrogen 3.152 N/A THR 16.A OG1 ASN 17.A OD1 no hydrogen 3.130 N/A LEU 18.A N GLU 2.A OE1 no hydrogen 3.209 N/A SER 19.A N SER 31.A O no hydrogen 2.941 N/A ILE 21.A N VAL 29.A O no hydrogen 2.852 N/A GLY 22.A N VAL 29.A O no hydrogen 3.210 N/A GLY 24.A N GLY 27.A O no hydrogen 2.773 N/A MET 28.A N LYS 45.A O no hydrogen 3.045 N/A VAL 29.A N GLY 22.A O no hydrogen 2.749 N/A CYS 30.A N ILE 43.A O no hydrogen 2.881 N/A SER 31.A N SER 19.A O no hydrogen 2.740 N/A SER 31.A OG SER 19.A O no hydrogen 3.328 N/A ALA 32.A N VAL 41.A O no hydrogen 2.996 N/A TYR 33.A N THR 16.A O no hydrogen 2.768 N/A ASP 34.A N VAL 39.A O no hydrogen 2.787 N/A ASN 35.A N ARG 14.A O no hydrogen 3.005 N/A VAL 36.A N ASP 34.A OD1 no hydrogen 2.965 N/A ASN 37.A N ASP 34.A OD1 no hydrogen 3.265 N/A LYS 38.A N ASP 34.A O no hydrogen 2.920 N/A LYS 38.A NZ ASN 35.A O no hydrogen 2.714 N/A ARG 40.A NH1 ASN 17.A O no hydrogen 2.895 N/A ARG 40.A NH2 ASN 17.A O no hydrogen 2.862 N/A ARG 40.A NH2 SER 31.A OG no hydrogen 2.737 N/A VAL 41.A N ALA 32.A O no hydrogen 2.782 N/A ALA 42.A N GLN 95.A O no hydrogen 2.910 N/A ILE 43.A N CYS 30.A O no hydrogen 2.800 N/A LYS 44.A N ILE 93.A O no hydrogen 2.865 N/A LYS 44.A NZ GLU 61.A OE1 no hydrogen 2.813 N/A LYS 45.A N MET 28.A O no hydrogen 2.892 N/A LYS 45.A NZ VAL 8.A O no hydrogen 2.741 N/A ILE 46.A N VAL 91.A O no hydrogen 2.800 N/A SER 47.A N TYR 26.A O no hydrogen 2.925 N/A SER 47.A OG ASP 90.A OD1 no hydrogen 2.778 N/A HIS 51.A N PRO 48.A O no hydrogen 3.092 N/A GLN 52.A NE2 ASP 307.A O no hydrogen 3.165 N/A GLN 52.A NE2 LEU 309.A O no hydrogen 2.758 N/A CYS 55.A N HIS 51.A O no hydrogen 3.144 N/A CYS 55.A SG PRO 48.A O no hydrogen 3.367 N/A CYS 55.A SG HIS 51.A O no hydrogen 3.183 N/A GLN 56.A N GLN 52.A O no hydrogen 3.029 N/A GLN 56.A NE2 GLN 52.A OE1 no hydrogen 2.803 N/A ARG 57.A N THR 53.A O no hydrogen 3.212 N/A THR 58.A N TYR 54.A O no hydrogen 3.148 N/A THR 58.A OG1 TYR 54.A O no hydrogen 2.982 N/A LEU 59.A N CYS 55.A O no hydrogen 3.087 N/A ARG 60.A N GLN 56.A O no hydrogen 2.952 N/A ARG 60.A NH1 GLN 56.A OE1 no hydrogen 2.928 N/A ARG 60.A NH2 GLN 56.A OE1 no hydrogen 3.112 N/A GLU 61.A N ARG 57.A O no hydrogen 2.906 N/A ILE 62.A N THR 58.A O no hydrogen 3.025 N/A LYS 63.A N LEU 59.A O no hydrogen 2.897 N/A LYS 63.A NZ GLU 321.A OE1 no hydrogen 2.834 N/A ILE 64.A N ARG 60.A O no hydrogen 2.785 N/A LEU 65.A N GLU 61.A O no hydrogen 2.853 N/A LEU 66.A N ILE 62.A O no hydrogen 3.053 N/A ARG 67.A N LYS 63.A O no hydrogen 3.330 N/A ARG 67.A N ILE 64.A O no hydrogen 3.263 N/A PHE 68.A N ILE 64.A O no hydrogen 3.025 N/A ARG 69.A N TYR 129.A OH no hydrogen 3.204 N/A ASN 72.A N HIS 70.A ND1 no hydrogen 3.020 N/A ASN 72.A ND2 LEU 153.A O no hydrogen 2.996 N/A ILE 73.A N HIS 70.A O no hydrogen 3.186 N/A ILE 74.A N ILE 155.A O no hydrogen 3.046 N/A ASN 77.A N VAL 94.A O no hydrogen 2.868 N/A ASN 77.A ND2 ASP 96.A OD1 no hydrogen 3.542 N/A ILE 80.A N TYR 92.A O no hydrogen 2.947 N/A ARG 81.A NE THR 322.A OG1 no hydrogen 2.879 N/A ARG 81.A NH1 ALA 82.A O no hydrogen 3.022 N/A ARG 81.A NH2 PHE 319.A O no hydrogen 2.790 N/A MET 88.A N THR 84.A O no hydrogen 3.180 N/A MET 88.A N ILE 85.A O no hydrogen 3.205 N/A VAL 91.A N ILE 46.A O no hydrogen 2.917 N/A TYR 92.A N ILE 80.A O no hydrogen 2.796 N/A ILE 93.A N LYS 44.A O no hydrogen 2.764 N/A VAL 94.A N ASP 78.A O no hydrogen 2.797 N/A GLN 95.A N ALA 42.A O no hydrogen 2.789 N/A GLN 95.A NE2 GLY 75.A O no hydrogen 3.251 N/A THR 100.A N LEU 147.A O no hydrogen 2.862 N/A THR 100.A OG1 ASP 101.A O no hydrogen 3.319 N/A LEU 102.A N LEU 145.A O no hydrogen 2.846 N/A LYS 104.A N ASP 101.A OD1 no hydrogen 2.905 N/A LEU 105.A N ASP 101.A O no hydrogen 2.975 N/A LEU 106.A N LEU 102.A O no hydrogen 2.904 N/A LYS 107.A N LYS 104.A O no hydrogen 3.220 N/A THR 108.A N LEU 105.A O no hydrogen 3.117 N/A GLN 109.A N LEU 105.A O no hydrogen 2.701 N/A SER 112.A OG HIS 115.A ND1 no hydrogen 3.218 N/A ASN 113.A ND2 ASP 254.A OD2 no hydrogen 3.010 N/A HIS 115.A N SER 112.A O no hydrogen 3.153 N/A HIS 115.A N SER 112.A OG no hydrogen 3.311 N/A HIS 115.A ND1 SER 112.A OG no hydrogen 3.218 N/A ILE 116.A N SER 112.A O no hydrogen 3.015 N/A CYS 117.A N ASN 113.A O no hydrogen 3.070 N/A CYS 117.A SG TYR 283.A O no hydrogen 3.170 N/A TYR 118.A N ASP 114.A O no hydrogen 2.994 N/A PHE 119.A N HIS 115.A O no hydrogen 2.910 N/A LEU 120.A N ILE 116.A O no hydrogen 2.877 N/A TYR 121.A N CYS 117.A O no hydrogen 3.026 N/A TYR 121.A OH GLU 293.A OE2 no hydrogen 2.720 N/A GLN 122.A N TYR 118.A O no hydrogen 3.211 N/A GLN 122.A NE2 CYS 151.A O no hydrogen 2.831 N/A ILE 123.A N PHE 119.A O no hydrogen 3.093 N/A LEU 124.A N LEU 120.A O no hydrogen 3.119 N/A ARG 125.A N TYR 121.A O no hydrogen 2.816 N/A ARG 125.A NE ASP 292.A O no hydrogen 2.812 N/A ARG 125.A NH1 ASN 72.A OD1 no hydrogen 2.721 N/A ARG 125.A NH2 ASP 292.A O no hydrogen 2.841 N/A GLY 126.A N GLN 122.A O no hydrogen 3.009 N/A LEU 127.A N ILE 123.A O no hydrogen 2.806 N/A LYS 128.A N LEU 124.A O no hydrogen 2.734 N/A LYS 128.A NZ GLU 276.A OE1 no hydrogen 3.209 N/A LYS 128.A NZ GLU 293.A OE1 no hydrogen 2.822 N/A TYR 129.A N ARG 125.A O no hydrogen 3.351 N/A ILE 130.A N GLY 126.A O no hydrogen 3.128 N/A HIS 131.A N LEU 127.A O no hydrogen 2.816 N/A HIS 131.A NE2 ASP 181.A OD2 no hydrogen 2.807 N/A SER 132.A N LYS 128.A O no hydrogen 3.090 N/A SER 132.A OG TYR 129.A O no hydrogen 2.693 N/A ALA 133.A N ILE 130.A O no hydrogen 3.074 N/A ASN 134.A N HIS 131.A O no hydrogen 2.891 N/A ASN 134.A ND2 ALA 164.A O no hydrogen 3.464 N/A VAL 135.A N ILE 130.A O no hydrogen 3.285 N/A LEU 136.A N ARG 162.A O no hydrogen 2.793 N/A HIS 137.A N ASP 181.A OD2 no hydrogen 2.952 N/A HIS 137.A NE2 CYS 156.A O no hydrogen 2.798 N/A ARG 138.A N ASP 181.A OD1 no hydrogen 2.848 N/A ARG 138.A NH1 LEU 160.A O no hydrogen 2.804 N/A ASP 139.A N HIS 137.A ND1 no hydrogen 3.247 N/A LYS 141.A NZ ASP 139.A OD2 no hydrogen 2.755 N/A ASN 144.A N LYS 141.A O no hydrogen 2.959 N/A ASN 144.A ND2 ASP 139.A O no hydrogen 2.899 N/A ASN 144.A ND2 ASP 157.A OD2 no hydrogen 3.311 N/A LEU 145.A N PRO 142.A O no hydrogen 3.216 N/A LEU 146.A N LYS 154.A O no hydrogen 2.896 N/A LEU 147.A N THR 100.A O no hydrogen 2.726 N/A ASN 148.A N ASP 152.A O no hydrogen 3.141 N/A ASN 148.A ND2 ASP 152.A OD2 no hydrogen 2.805 N/A THR 150.A N ASN 148.A OD1 no hydrogen 2.987 N/A THR 150.A OG1 ASN 148.A OD1 no hydrogen 2.943 N/A THR 150.A OG1 ASP 152.A OD2 no hydrogen 2.785 N/A CYS 151.A N ASN 148.A O no hydrogen 2.904 N/A CYS 151.A SG HIS 115.A NE2 no hydrogen 3.386 N/A ASP 152.A N ASN 148.A OD1 no hydrogen 3.063 N/A LEU 153.A N GLN 122.A OE1 no hydrogen 2.863 N/A LYS 154.A N LEU 146.A O no hydrogen 2.951 N/A LYS 154.A NZ GLU 71.A O no hydrogen 2.744 N/A ILE 155.A N ASN 72.A O no hydrogen 2.843 N/A CYS 156.A N ASN 144.A O no hydrogen 2.946 N/A CYS 156.A SG ASN 144.A O no hydrogen 3.630 N/A CYS 156.A SG ASN 144.A OD1 no hydrogen 4.040 N/A PHE 158.A N GLU 61.A OE2 no hydrogen 2.778 N/A ALA 161.A N PHE 158.A O no hydrogen 3.167 N/A ARG 162.A N LEU 136.A O no hydrogen 3.083 N/A ARG 162.A NH2 ASP 307.A OD1 no hydrogen 2.810 N/A ALA 164.A N ASN 134.A O no hydrogen 2.782 N/A ARG 166.A NH1 GLY 201.A O no hydrogen 3.044 N/A TRP 167.A NE1 GLY 201.A O no hydrogen 2.990 N/A TYR 168.A OH GLU 191.A OE1 no hydrogen 2.633 N/A ARG 169.A N ARG 166.A O no hydrogen 3.153 N/A ARG 169.A NH2 ASP 139.A OD1 no hydrogen 3.524 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.783 N/A ILE 173.A N ALA 170.A O no hydrogen 3.092 N/A LYS 178.A NZ HIS 131.A O no hydrogen 2.783 N/A ILE 180.A N THR 177.A O no hydrogen 3.474 N/A ASP 181.A N LYS 178.A O no hydrogen 3.206 N/A TRP 183.A N SER 179.A O no hydrogen 3.184 N/A SER 184.A N ILE 180.A O no hydrogen 3.241 N/A SER 184.A OG TYR 168.A O no hydrogen 2.708 N/A SER 184.A OG ILE 180.A O no hydrogen 3.101 N/A VAL 185.A N ASP 181.A O no hydrogen 2.890 N/A GLY 186.A N ILE 182.A O no hydrogen 2.819 N/A CYS 187.A N TRP 183.A O no hydrogen 2.951 N/A CYS 187.A SG TRP 167.A O no hydrogen 3.803 N/A CYS 187.A SG TRP 183.A O no hydrogen 3.393 N/A ILE 188.A N SER 184.A O no hydrogen 2.953 N/A LEU 189.A N VAL 185.A O no hydrogen 2.919 N/A ALA 190.A N GLY 186.A O no hydrogen 3.079 N/A GLU 191.A N CYS 187.A O no hydrogen 3.064 N/A MET 192.A N ILE 188.A O no hydrogen 2.906 N/A LEU 193.A N LEU 189.A O no hydrogen 3.128 N/A SER 194.A OG ALA 190.A O no hydrogen 3.183 N/A SER 194.A OG ARG 196.A O no hydrogen 3.327 N/A ASN 195.A N GLU 191.A O no hydrogen 2.765 N/A ASN 195.A ND2 LEU 106.A O no hydrogen 2.760 N/A ASN 195.A ND2 GLN 109.A O no hydrogen 2.772 N/A GLY 201.A N PHE 199.A O no hydrogen 3.030 N/A GLY 201.A N GLN 207.A OE1 no hydrogen 2.964 N/A LYS 202.A N ASP 206.A OD2 no hydrogen 2.806 N/A ASP 206.A N HIS 203.A ND1 no hydrogen 3.372 N/A GLN 207.A N HIS 203.A O no hydrogen 2.761 N/A GLN 207.A NE2 PHE 199.A O no hydrogen 2.793 N/A LEU 208.A N TYR 204.A O no hydrogen 2.818 N/A ASN 209.A N LEU 205.A O no hydrogen 3.058 N/A ASN 209.A ND2 LEU 205.A O no hydrogen 2.811 N/A ASN 209.A ND2 TYR 234.A OH no hydrogen 2.803 N/A HIS 210.A N ASP 206.A O no hydrogen 3.008 N/A HIS 210.A ND1 ASP 206.A O no hydrogen 2.721 N/A ILE 211.A N GLN 207.A O no hydrogen 3.083 N/A LEU 212.A N LEU 208.A O no hydrogen 2.966 N/A GLY 213.A N ASN 209.A O no hydrogen 2.954 N/A ILE 214.A N ILE 211.A O no hydrogen 3.332 N/A LEU 215.A N ILE 211.A O no hydrogen 3.017 N/A GLY 216.A N LEU 212.A O no hydrogen 2.818 N/A SER 217.A N LYS 241.A O no hydrogen 2.894 N/A SER 219.A OG ASP 222.A OD1 no hydrogen 3.127 N/A ASP 222.A N SER 219.A O no hydrogen 3.089 N/A ASP 222.A N SER 219.A OG no hydrogen 3.214 N/A LEU 223.A N SER 219.A O no hydrogen 3.225 N/A LEU 223.A N GLN 220.A O no hydrogen 2.919 N/A ASN 224.A N GLU 221.A O no hydrogen 3.427 N/A CYS 225.A SG HIS 270.A NE2 no hydrogen 3.326 N/A ASN 228.A N LEU 175.A O no hydrogen 2.950 N/A ASN 228.A ND2 ASN 176.A OD1 no hydrogen 3.143 N/A ALA 231.A N ASN 228.A OD1 no hydrogen 2.940 N/A ARG 232.A N ASN 228.A O no hydrogen 2.880 N/A ARG 232.A NE LEU 223.A O no hydrogen 3.552 N/A ASN 233.A N LEU 229.A O no hydrogen 2.909 N/A TYR 234.A N LYS 230.A O no hydrogen 3.006 N/A LEU 235.A N ALA 231.A O no hydrogen 3.103 N/A LEU 236.A N ARG 232.A O no hydrogen 3.055 N/A SER 237.A N TYR 234.A O no hydrogen 3.027 N/A SER 237.A OG TYR 234.A O no hydrogen 2.674 N/A LEU 238.A N LEU 235.A O no hydrogen 3.439 N/A LYS 241.A N SER 217.A OG no hydrogen 2.799 N/A VAL 244.A N ILE 214.A O no hydrogen 2.764 N/A TRP 246.A NE1 ASP 262.A OD1 no hydrogen 2.791 N/A ARG 248.A N PRO 245.A O no hydrogen 3.107 N/A PHE 250.A N TRP 246.A O no hydrogen 3.025 N/A LYS 256.A N ASP 254.A OD1 no hydrogen 3.018 N/A LEU 258.A N ASP 254.A O no hydrogen 3.045 N/A ASP 259.A N SER 255.A O no hydrogen 2.846 N/A ASP 259.A N LYS 256.A O no hydrogen 3.118 N/A LEU 260.A N LYS 256.A O no hydrogen 3.140 N/A LEU 261.A N ALA 257.A O no hydrogen 2.952 N/A ASP 262.A N LEU 258.A O no hydrogen 3.148 N/A LYS 263.A N ASP 259.A O no hydrogen 3.294 N/A LYS 263.A NZ ASP 259.A OD1 no hydrogen 3.250 N/A LYS 263.A NZ ASP 259.A OD2 no hydrogen 2.808 N/A MET 264.A N LEU 260.A O no hydrogen 2.990 N/A LEU 265.A N LEU 261.A O no hydrogen 2.867 N/A THR 266.A OG1 ASP 262.A O no hydrogen 3.068 N/A THR 266.A OG1 LYS 263.A O no hydrogen 3.214 N/A ASN 268.A ND2 ASP 222.A OD1 no hydrogen 3.410 N/A HIS 270.A N ASN 268.A OD1 no hydrogen 3.118 N/A LYS 271.A N ASN 268.A O no hydrogen 3.159 N/A LYS 271.A NZ GLU 221.A OE1 no hydrogen 2.820 N/A LYS 271.A NZ GLU 221.A OE2 no hydrogen 3.242 N/A ARG 272.A N PRO 269.A O no hydrogen 3.314 N/A ARG 272.A NE THR 266.A O no hydrogen 2.846 N/A ARG 272.A NH1 GLU 172.A OE1 no hydrogen 3.368 N/A ARG 272.A NH1 GLU 172.A OE2 no hydrogen 2.752 N/A ARG 272.A NH1 SER 179.A O no hydrogen 2.811 N/A ARG 272.A NH2 GLU 172.A OE1 no hydrogen 2.793 N/A ARG 272.A NH2 THR 266.A O no hydrogen 2.945 N/A ARG 272.A NH2 PHE 267.A O no hydrogen 3.077 N/A ILE 273.A N LYS 263.A O no hydrogen 3.085 N/A GLN 277.A N GLN 277.A OE1 no hydrogen 2.819 N/A ALA 278.A N GLU 274.A O no hydrogen 2.916 N/A LEU 279.A N VAL 275.A O no hydrogen 2.906 N/A ALA 280.A N GLU 276.A O no hydrogen 3.276 N/A HIS 281.A N ALA 278.A O no hydrogen 3.113 N/A HIS 281.A NE2 ASP 259.A OD2 no hydrogen 2.703 N/A TYR 283.A N HIS 281.A ND1 no hydrogen 3.093 N/A TYR 283.A OH ASN 113.A O no hydrogen 3.312 N/A TYR 283.A OH ASN 113.A OD1 no hydrogen 2.849 N/A LEU 284.A N HIS 281.A O no hydrogen 2.901 N/A GLU 285.A N PRO 282.A O no hydrogen 3.214 N/A GLN 286.A NE2 ASP 114.A OD1 no hydrogen 2.876 N/A TYR 287.A N LEU 284.A O no hydrogen 3.020 N/A TYR 288.A N LEU 284.A O no hydrogen 2.756 N/A ASP 289.A N GLU 293.A OE2 no hydrogen 3.334 N/A ASP 292.A N ASP 289.A O no hydrogen 2.797 N/A ALA 296.A N SER 132.A OG no hydrogen 2.797 N/A PHE 300.A N ALA 133.A O no hydrogen 2.786 N/A ASP 308.A N GLU 305.A O no hydrogen 3.079 N/A LEU 309.A N LEU 306.A O no hydrogen 3.312 N/A LYS 311.A NZ GLU 312.A OE2 no hydrogen 2.928 N/A LYS 313.A N PRO 310.A O no hydrogen 2.949 N/A LEU 314.A N PRO 310.A O no hydrogen 3.065 N/A LYS 315.A N LYS 311.A O no hydrogen 2.941 N/A LYS 315.A NZ ILE 85.A O no hydrogen 2.894 N/A LYS 315.A NZ MET 88.A O no hydrogen 3.102 N/A GLU 316.A N GLU 312.A O no hydrogen 3.410 N/A LEU 317.A N LYS 313.A O no hydrogen 3.080 N/A ILE 318.A N LEU 314.A O no hydrogen 2.937 N/A PHE 319.A N LYS 315.A O no hydrogen 2.823 N/A GLU 320.A N GLU 316.A O no hydrogen 2.982 N/A GLU 321.A N LEU 317.A O no hydrogen 2.856 N/A THR 322.A N ILE 318.A O no hydrogen 2.996 N/A THR 322.A OG1 ILE 318.A O no hydrogen 2.864 N/A THR 322.A OG1 PHE 319.A O no hydrogen 3.118 N/A ALA 323.A N GLU 320.A O no hydrogen 2.915 N/A PHE 325.A N THR 322.A O no hydrogen 3.413 N/A GLN 326.A N ALA 323.A O no hydrogen 2.913 N/A