Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2buj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 9.A N TYR 16.A O no hydrogen 3.048 N/A ILE 11.A N LYS 14.A O no hydrogen 2.792 N/A LYS 14.A N ILE 11.A O no hydrogen 2.917 N/A TYR 16.A N VAL 9.A O no hydrogen 2.847 N/A LEU 17.A N GLU 32.A O no hydrogen 2.776 N/A PHE 18.A N HIS 7.A O no hydrogen 2.872 N/A ILE 19.A N LEU 30.A O no hydrogen 2.905 N/A GLN 20.A N LEU 30.A O no hydrogen 3.439 N/A LEU 22.A N VAL 28.A O no hydrogen 2.926 N/A GLY 23.A N VAL 28.A O no hydrogen 3.298 N/A TYR 27.A N ARG 44.A O no hydrogen 2.936 N/A VAL 28.A N GLY 23.A O no hydrogen 3.049 N/A ASP 29.A N LEU 42.A O no hydrogen 2.819 N/A LEU 30.A N GLN 20.A O no hydrogen 2.714 N/A VAL 31.A N TYR 40.A O no hydrogen 2.792 N/A GLU 32.A N LEU 17.A O no hydrogen 2.902 N/A GLY 33.A N HIS 38.A O no hydrogen 2.924 N/A LEU 34.A N HIS 15.A O no hydrogen 3.155 N/A GLY 37.A N GLY 33.A O no hydrogen 2.956 N/A HIS 38.A N ASP 36.A OD1 no hydrogen 3.286 N/A TYR 40.A N VAL 31.A O no hydrogen 2.757 N/A TYR 40.A OH ASP 36.A OD2 no hydrogen 2.667 N/A ALA 41.A N LEU 92.A O no hydrogen 2.832 N/A LEU 42.A N ASP 29.A O no hydrogen 2.740 N/A LYS 43.A N LEU 90.A O no hydrogen 2.821 N/A LYS 43.A NZ GLU 59.A OE1 no hydrogen 3.489 N/A LYS 43.A NZ GLU 59.A OE2 no hydrogen 2.989 N/A ARG 44.A N TYR 27.A O no hydrogen 2.734 N/A ILE 45.A N ALA 88.A O no hydrogen 2.748 N/A LEU 46.A N PHE 25.A O no hydrogen 3.329 N/A CYS 47.A N HIS 86.A O no hydrogen 2.974 N/A HIS 48.A N ASP 52.A OD2 no hydrogen 2.887 N/A GLU 49.A N ASP 52.A OD2 no hydrogen 3.010 N/A ASP 52.A N GLU 49.A O no hydrogen 3.175 N/A GLU 54.A N GLN 50.A O no hydrogen 3.063 N/A GLU 55.A N GLN 51.A O no hydrogen 2.873 N/A ALA 56.A N ASP 52.A O no hydrogen 3.145 N/A GLN 57.A N ARG 53.A O no hydrogen 3.017 N/A ARG 58.A N GLU 54.A O no hydrogen 2.935 N/A GLU 59.A N GLU 55.A O no hydrogen 3.188 N/A ALA 60.A N ALA 56.A O no hydrogen 2.996 N/A ASP 61.A N GLN 57.A O no hydrogen 2.838 N/A MET 62.A N ARG 58.A O no hydrogen 2.953 N/A HIS 63.A N GLU 59.A O no hydrogen 3.204 N/A HIS 63.A ND1 LEU 72.A O no hydrogen 3.102 N/A ARG 64.A N ALA 60.A O no hydrogen 3.363 N/A ARG 64.A N ASP 61.A O no hydrogen 3.235 N/A ARG 64.A NE ASP 61.A OD1 no hydrogen 3.538 N/A ARG 64.A NH2 ASP 61.A OD1 no hydrogen 3.506 N/A LEU 65.A N ASP 61.A O no hydrogen 3.152 N/A LEU 65.A N MET 62.A O no hydrogen 3.277 N/A PHE 66.A N HIS 63.A O no hydrogen 3.394 N/A ASN 70.A N HIS 68.A ND1 no hydrogen 2.916 N/A ASN 70.A ND2 PRO 156.A O no hydrogen 2.899 N/A ILE 71.A N HIS 68.A O no hydrogen 3.252 N/A LEU 72.A N LEU 158.A O no hydrogen 2.900 N/A VAL 75.A N LEU 91.A O no hydrogen 2.909 N/A CYS 78.A N TRP 89.A O no hydrogen 2.878 N/A ARG 80.A N GLU 87.A O no hydrogen 2.872 N/A ARG 80.A NE LEU 79.A O no hydrogen 3.129 N/A ARG 80.A NH1 ILE 10.A O no hydrogen 2.610 N/A ARG 82.A N LYS 85.A O no hydrogen 2.785 N/A LYS 85.A N ARG 82.A O no hydrogen 3.249 N/A HIS 86.A ND1 ALA 84.A O no hydrogen 2.653 N/A GLU 87.A N ARG 80.A O no hydrogen 2.627 N/A ALA 88.A N ILE 45.A O no hydrogen 2.893 N/A TRP 89.A N CYS 78.A O no hydrogen 2.753 N/A TRP 89.A NE1 GLU 87.A OE1 no hydrogen 3.233 N/A LEU 90.A N LYS 43.A O no hydrogen 2.904 N/A LEU 91.A N ALA 76.A O no hydrogen 2.866 N/A LEU 92.A N ALA 41.A O no hydrogen 2.905 N/A GLY 98.A N PHE 95.A O no hydrogen 2.972 N/A THR 99.A N ASN 102.A OD1 no hydrogen 3.308 N/A THR 99.A OG1 PRO 145.A O no hydrogen 3.009 N/A THR 99.A OG1 ILE 148.A O no hydrogen 2.835 N/A LEU 100.A N ILE 148.A O no hydrogen 2.678 N/A TRP 101.A N PRO 145.A O no hydrogen 3.330 N/A GLU 103.A N THR 99.A O no hydrogen 3.421 N/A ILE 104.A N LEU 100.A O no hydrogen 3.052 N/A GLU 105.A N TRP 101.A O no hydrogen 2.935 N/A ARG 106.A N ASN 102.A O no hydrogen 2.968 N/A ARG 106.A NE GLU 103.A OE1 no hydrogen 3.201 N/A ARG 106.A NE GLU 103.A OE2 no hydrogen 3.182 N/A LEU 107.A N GLU 103.A O no hydrogen 3.324 N/A LYS 108.A N ILE 104.A O no hydrogen 3.348 N/A ASP 109.A N GLU 105.A O no hydrogen 2.817 N/A LYS 110.A N LEU 107.A O no hydrogen 2.987 N/A GLY 111.A N LYS 108.A O no hydrogen 3.438 N/A ASN 112.A N LEU 107.A O no hydrogen 2.794 N/A THR 115.A N GLN 118.A OE1 no hydrogen 2.830 N/A GLN 118.A N THR 115.A OG1 no hydrogen 3.253 N/A ILE 119.A N THR 115.A O no hydrogen 2.936 N/A LEU 120.A N GLU 116.A O no hydrogen 2.949 N/A TRP 121.A N ASP 117.A O no hydrogen 3.204 N/A TRP 121.A NE1 GLY 154.A O no hydrogen 3.290 N/A LEU 122.A N GLN 118.A O no hydrogen 3.116 N/A LEU 123.A N ILE 119.A O no hydrogen 2.992 N/A LEU 124.A N LEU 120.A O no hydrogen 3.097 N/A GLY 125.A N TRP 121.A O no hydrogen 3.022 N/A ILE 126.A N LEU 122.A O no hydrogen 3.064 N/A CYS 127.A N LEU 123.A O no hydrogen 3.036 N/A CYS 127.A SG LEU 123.A O no hydrogen 3.312 N/A ARG 128.A N LEU 124.A O no hydrogen 3.093 N/A ARG 128.A NH2 GLU 283.A OE2 no hydrogen 2.924 N/A GLY 129.A N GLY 125.A O no hydrogen 3.080 N/A LEU 130.A N ILE 126.A O no hydrogen 2.960 N/A GLU 131.A N CYS 127.A O no hydrogen 2.805 N/A ALA 132.A N ARG 128.A O no hydrogen 3.172 N/A ILE 133.A N GLY 129.A O no hydrogen 3.230 N/A HIS 134.A N LEU 130.A O no hydrogen 2.787 N/A HIS 134.A NE2 ASP 211.A OD2 no hydrogen 2.928 N/A ALA 135.A N GLU 131.A O no hydrogen 2.892 N/A LYS 136.A N ILE 133.A O no hydrogen 3.170 N/A LYS 136.A NZ LEU 65.A O no hydrogen 3.044 N/A GLY 137.A N HIS 134.A O no hydrogen 2.902 N/A TYR 138.A N ILE 133.A O no hydrogen 3.284 N/A ALA 139.A N ASN 165.A O no hydrogen 2.971 N/A HIS 140.A N ASP 211.A OD2 no hydrogen 2.847 N/A HIS 140.A NE2 MET 159.A O no hydrogen 3.049 N/A ARG 141.A N ASP 211.A OD1 no hydrogen 2.910 N/A ARG 141.A NE ASN 165.A OD1 no hydrogen 2.863 N/A ARG 141.A NH1 ASP 207.A O no hydrogen 3.142 N/A ARG 141.A NH2 ASN 165.A OD1 no hydrogen 3.238 N/A ARG 141.A NH2 GLN 166.A O no hydrogen 2.955 N/A ARG 141.A NH2 ALA 167.A O no hydrogen 2.922 N/A ASP 142.A N HIS 140.A ND1 no hydrogen 3.040 N/A LYS 144.A NZ THR 189.A OG1 no hydrogen 2.877 N/A ASN 147.A N LYS 144.A O no hydrogen 2.868 N/A ASN 147.A ND2 ASP 142.A O no hydrogen 2.556 N/A ASN 147.A ND2 ASP 160.A OD2 no hydrogen 3.507 N/A LEU 149.A N VAL 157.A O no hydrogen 2.919 N/A LEU 150.A N GLY 98.A O no hydrogen 2.958 N/A GLY 151.A N GLN 155.A O no hydrogen 2.728 N/A GLU 153.A N GLN 155.A OE1 no hydrogen 2.917 N/A GLY 154.A N GLY 151.A O no hydrogen 3.195 N/A GLN 155.A N GLN 155.A OE1 no hydrogen 2.891 N/A VAL 157.A N LEU 149.A O no hydrogen 2.736 N/A LEU 158.A N ASN 70.A O no hydrogen 3.015 N/A MET 159.A N ASN 147.A O no hydrogen 3.161 N/A ASN 165.A N ALA 139.A O no hydrogen 3.241 N/A ALA 167.A N GLY 137.A O no hydrogen 2.905 N/A ILE 169.A N ILE 206.A O no hydrogen 2.832 N/A VAL 171.A N CYS 204.A O no hydrogen 2.850 N/A GLU 172.A N GLN 176.A OE1 no hydrogen 2.998 N/A GLY 173.A N SER 202.A O no hydrogen 2.708 N/A ALA 177.A N GLY 173.A O no hydrogen 3.223 N/A LEU 178.A N SER 174.A O no hydrogen 2.945 N/A THR 179.A N ARG 175.A O no hydrogen 3.061 N/A THR 179.A OG1 ARG 175.A O no hydrogen 2.994 N/A THR 179.A OG1 GLN 176.A O no hydrogen 3.066 N/A LEU 180.A N GLN 176.A O no hydrogen 3.007 N/A GLN 181.A N ALA 177.A O no hydrogen 2.782 N/A ASP 182.A N LEU 178.A O no hydrogen 2.945 N/A TRP 183.A N THR 179.A O no hydrogen 2.952 N/A ALA 184.A N LEU 180.A O no hydrogen 3.054 N/A ALA 185.A N GLN 181.A O no hydrogen 3.016 N/A GLN 186.A N ASP 182.A O no hydrogen 3.217 N/A GLN 186.A N TRP 183.A O no hydrogen 3.171 N/A ARG 187.A N TRP 183.A O no hydrogen 3.002 N/A ARG 187.A N ALA 184.A O no hydrogen 3.153 N/A CYS 188.A N ALA 184.A O no hydrogen 2.943 N/A CYS 188.A SG ARG 141.A O no hydrogen 3.380 N/A THR 189.A N ASP 142.A OD2 no hydrogen 3.190 N/A THR 189.A OG1 ASP 142.A OD2 no hydrogen 2.933 N/A TYR 192.A N THR 189.A O no hydrogen 3.057 N/A ARG 193.A N ILE 190.A O no hydrogen 3.359 N/A ARG 193.A NE CYS 188.A O no hydrogen 2.919 N/A ARG 193.A NH2 CYS 188.A O no hydrogen 2.773 N/A GLU 196.A N GLU 196.A OE2 no hydrogen 2.856 N/A LEU 197.A N ALA 194.A O no hydrogen 3.083 N/A PHE 198.A N PRO 195.A O no hydrogen 2.949 N/A VAL 200.A N GLN 181.A OE1 no hydrogen 2.930 N/A CYS 204.A N VAL 171.A O no hydrogen 3.036 N/A CYS 204.A SG GLN 201.A O no hydrogen 3.405 N/A ILE 206.A N ILE 169.A O no hydrogen 2.881 N/A GLU 208.A N GLU 208.A OE1 no hydrogen 2.868 N/A ARG 209.A N ASP 207.A OD2 no hydrogen 2.995 N/A ARG 209.A NE ASP 207.A OD1 no hydrogen 3.259 N/A ARG 209.A NE ASP 207.A OD2 no hydrogen 3.354 N/A ARG 209.A NH1 ARG 272.A O no hydrogen 2.812 N/A ARG 209.A NH2 ASP 207.A OD1 no hydrogen 2.940 N/A THR 210.A N ASP 207.A O no hydrogen 3.388 N/A ASP 211.A N GLU 208.A O no hydrogen 2.925 N/A VAL 212.A N ARG 209.A O no hydrogen 2.965 N/A TRP 213.A N ARG 209.A O no hydrogen 3.285 N/A SER 214.A N THR 210.A O no hydrogen 3.428 N/A SER 214.A OG TYR 192.A O no hydrogen 2.843 N/A SER 214.A OG THR 210.A O no hydrogen 3.314 N/A LEU 215.A N ASP 211.A O no hydrogen 2.872 N/A GLY 216.A N VAL 212.A O no hydrogen 3.092 N/A CYS 217.A N TRP 213.A O no hydrogen 3.129 N/A CYS 217.A SG TRP 213.A O no hydrogen 3.680 N/A VAL 218.A N SER 214.A O no hydrogen 2.905 N/A LEU 219.A N LEU 215.A O no hydrogen 2.893 N/A TYR 220.A N GLY 216.A O no hydrogen 2.903 N/A ALA 221.A N CYS 217.A O no hydrogen 2.856 N/A MET 222.A N VAL 218.A O no hydrogen 2.888 N/A MET 223.A N LEU 219.A O no hydrogen 2.910 N/A PHE 224.A N TYR 220.A O no hydrogen 2.834 N/A GLY 225.A N ALA 221.A O no hydrogen 2.879 N/A GLY 227.A N ASP 230.A OD2 no hydrogen 2.768 N/A ASP 230.A N GLY 227.A O no hydrogen 3.402 N/A PHE 233.A N TYR 229.A O no hydrogen 3.061 N/A GLN 234.A N ASP 230.A O no hydrogen 2.878 N/A LYS 235.A N MET 231.A O no hydrogen 2.769 N/A GLY 236.A N PHE 233.A O no hydrogen 3.053 N/A ASP 237.A N VAL 232.A O no hydrogen 3.204 N/A LEU 241.A N SER 238.A OG no hydrogen 3.066 N/A ALA 242.A N SER 238.A O no hydrogen 3.254 N/A VAL 243.A N VAL 239.A O no hydrogen 2.804 N/A ASN 245.A N LEU 241.A O no hydrogen 3.208 N/A ASN 245.A N ALA 242.A O no hydrogen 3.042 N/A HIS 253.A N SER 250.A O no hydrogen 2.979 N/A SER 254.A N GLU 116.A OE1 no hydrogen 2.743 N/A SER 254.A OG GLU 116.A OE2 no hydrogen 2.757 N/A LEU 257.A N SER 254.A OG no hydrogen 2.936 N/A TRP 258.A N SER 254.A O no hydrogen 3.185 N/A GLN 259.A N SER 255.A O no hydrogen 2.759 N/A LEU 260.A N ALA 256.A O no hydrogen 3.144 N/A LEU 261.A N LEU 257.A O no hydrogen 3.089 N/A ASN 262.A N TRP 258.A O no hydrogen 3.075 N/A SER 263.A N GLN 259.A O no hydrogen 3.112 N/A SER 263.A OG LEU 260.A O no hydrogen 2.888 N/A MET 264.A N LEU 260.A O no hydrogen 3.201 N/A MET 265.A N LEU 261.A O no hydrogen 3.126 N/A THR 266.A OG1 ASP 268.A O no hydrogen 3.270 N/A HIS 270.A N ASP 268.A OD1 no hydrogen 3.354 N/A GLN 271.A N ASP 268.A O no hydrogen 3.038 N/A ARG 272.A N PRO 269.A O no hydrogen 3.189 N/A ARG 272.A NE THR 266.A O no hydrogen 2.875 N/A ARG 272.A NH1 GLU 196.A OE1 no hydrogen 3.002 N/A ARG 272.A NH1 ARG 209.A O no hydrogen 2.894 N/A ARG 272.A NH2 GLU 196.A OE2 no hydrogen 2.978 N/A ARG 272.A NH2 THR 266.A O no hydrogen 3.046 N/A ARG 272.A NH2 VAL 267.A O no hydrogen 3.244 N/A HIS 274.A ND1 GLU 208.A OE2 no hydrogen 2.885 N/A LEU 278.A N HIS 274.A O no hydrogen 3.188 N/A LEU 279.A N ILE 275.A O no hydrogen 2.841 N/A SER 280.A N PRO 276.A O no hydrogen 3.116 N/A SER 280.A OG PRO 276.A O no hydrogen 2.830 N/A GLN 281.A N LEU 277.A O no hydrogen 3.023 N/A LEU 282.A N LEU 278.A O no hydrogen 2.765 N/A GLU 283.A N LEU 279.A O no hydrogen 2.777 N/A LEU 285.A N LEU 282.A O no hydrogen 2.942 N/A GLN 286.A N GLU 283.A O no hydrogen 3.105 N/A