Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hib_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 1.A N ASP 237.A OD1 no hydrogen 3.441 N/A SER 4.A N GLU 101.A OE2 no hydrogen 3.270 N/A SER 4.A OG GLU 101.A OE2 no hydrogen 3.123 N/A TYR 6.A OH LYS 102.A O no hydrogen 2.325 N/A SER 9.A N GLU 37.A OE2 no hydrogen 2.828 N/A SER 9.A OG THR 12.A OG1 no hydrogen 3.116 N/A SER 9.A OG GLU 37.A OE2 no hydrogen 3.160 N/A THR 12.A N SER 9.A O no hydrogen 3.007 N/A THR 12.A N SER 9.A OG no hydrogen 3.068 N/A THR 12.A OG1 SER 9.A OG no hydrogen 3.116 N/A THR 12.A OG1 GLU 37.A OE1 no hydrogen 2.653 N/A THR 12.A OG1 GLU 37.A OE2 no hydrogen 3.506 N/A ILE 13.A N SER 9.A O no hydrogen 3.058 N/A GLN 14.A N PHE 10.A O no hydrogen 2.848 N/A SER 15.A N PHE 11.A O no hydrogen 3.090 N/A PHE 16.A N THR 12.A O no hydrogen 2.870 N/A VAL 17.A N ILE 13.A O no hydrogen 2.903 N/A SER 18.A N GLN 14.A O no hydrogen 2.953 N/A SER 19.A N SER 15.A O no hydrogen 3.009 N/A SER 19.A OG SER 15.A O no hydrogen 3.492 N/A LEU 20.A N PHE 16.A O no hydrogen 2.826 N/A SER 21.A N SER 24.A OG no hydrogen 2.858 N/A SER 21.A OG THR 23.A OG1 no hydrogen 2.914 N/A THR 23.A N SER 21.A OG no hydrogen 3.078 N/A THR 23.A OG1 SER 21.A OG no hydrogen 2.914 N/A SER 24.A N SER 21.A O no hydrogen 3.146 N/A SER 24.A OG SER 21.A O no hydrogen 3.276 N/A ASN 28.A N THR 25.A OG1 no hydrogen 3.150 N/A TYR 30.A N LYS 27.A O no hydrogen 2.943 N/A VAL 31.A N ASN 28.A O no hydrogen 2.781 N/A SER 33.A N LEU 29.A O no hydrogen 2.942 N/A SER 33.A OG TYR 30.A O no hydrogen 2.551 N/A SER 33.A OG SER 72.A OG no hydrogen 3.089 N/A THR 34.A N VAL 31.A O no hydrogen 2.881 N/A THR 34.A OG1 VAL 31.A O no hydrogen 2.561 N/A ALA 35.A N LEU 32.A O no hydrogen 3.194 N/A GLU 37.A N GLU 37.A OE1 no hydrogen 2.897 N/A PHE 38.A N ALA 35.A O no hydrogen 2.970 N/A GLU 39.A N VAL 36.A O no hydrogen 2.898 N/A SER 40.A OG GLU 37.A O no hydrogen 3.543 N/A VAL 41.A N PHE 38.A O no hydrogen 2.773 N/A ARG 44.A N ASP 47.A OD2 no hydrogen 2.789 N/A ARG 44.A NH1 ASP 95.A OD1 no hydrogen 3.267 N/A ARG 44.A NH1 ASP 95.A OD2 no hydrogen 2.785 N/A ARG 44.A NH2 ASP 95.A OD1 no hydrogen 2.754 N/A ASP 47.A N ARG 44.A O no hydrogen 2.963 N/A ARG 48.A NE SER 68.A OG no hydrogen 2.980 N/A ARG 48.A NH2 SER 68.A OG no hydrogen 2.979 N/A LEU 50.A N GLY 46.A O no hydrogen 3.319 N/A LEU 51.A N ASP 47.A O no hydrogen 2.815 N/A VAL 52.A N ARG 48.A O no hydrogen 2.799 N/A LYS 53.A N ALA 49.A O no hydrogen 3.389 N/A LEU 54.A N LEU 50.A O no hydrogen 3.012 N/A SER 55.A N LEU 51.A O no hydrogen 2.867 N/A SER 55.A OG VAL 52.A O no hydrogen 2.477 N/A LYS 56.A N LYS 53.A O no hydrogen 3.087 N/A ARG 57.A N LEU 54.A O no hydrogen 2.900 N/A LEU 58.A N SER 55.A O no hydrogen 3.372 N/A LEU 60.A N GLN 80.A OE1 no hydrogen 2.813 N/A THR 66.A N PRO 63.A O no hydrogen 2.999 N/A GLY 69.A N SER 67.A OG no hydrogen 3.105 N/A SER 70.A OG SER 67.A O no hydrogen 3.145 N/A SER 72.A OG SER 33.A OG no hydrogen 3.089 N/A PHE 73.A N SER 70.A O no hydrogen 3.291 N/A LYS 74.A NZ PRO 42.A O no hydrogen 2.778 N/A LYS 74.A NZ ASP 47.A OD2 no hydrogen 2.685 N/A LYS 74.A NZ ASP 95.A OD2 no hydrogen 2.667 N/A VAL 75.A N VAL 71.A O no hydrogen 2.904 N/A PHE 76.A N SER 72.A O no hydrogen 2.867 N/A LEU 77.A N PHE 73.A O no hydrogen 3.170 N/A LEU 78.A N LYS 74.A O no hydrogen 2.859 N/A LEU 79.A N VAL 75.A O no hydrogen 3.106 N/A GLN 80.A N PHE 76.A O no hydrogen 3.403 N/A GLN 80.A NE2 LEU 60.A O no hydrogen 2.768 N/A ALA 81.A N LEU 77.A O no hydrogen 2.876 N/A TYR 82.A N LEU 78.A O no hydrogen 2.853 N/A TYR 82.A OH LEU 130.A O no hydrogen 2.907 N/A PHE 83.A N LEU 79.A O no hydrogen 2.989 N/A SER 84.A N GLN 80.A O no hydrogen 2.819 N/A SER 84.A OG GLN 80.A O no hydrogen 3.165 N/A ARG 85.A N TYR 82.A O no hydrogen 3.018 N/A ARG 85.A NE GLY 133.A O no hydrogen 2.797 N/A ARG 85.A NH1 ARG 142.A O no hydrogen 3.264 N/A ARG 85.A NH2 GLN 132.A O no hydrogen 3.087 N/A ARG 85.A NH2 GLY 133.A O no hydrogen 3.504 N/A LEU 86.A N ALA 81.A O no hydrogen 2.902 N/A GLN 93.A N PRO 89.A O no hydrogen 2.968 N/A GLN 93.A NE2 LEU 88.A O no hydrogen 2.788 N/A ASN 94.A N VAL 90.A O no hydrogen 2.840 N/A ASP 95.A N ASP 91.A O no hydrogen 2.969 N/A LEU 96.A N PHE 92.A O no hydrogen 2.658 N/A LYS 97.A N GLN 93.A O no hydrogen 3.120 N/A ASP 98.A N ASN 94.A O no hydrogen 3.164 N/A ILE 99.A N ASP 95.A O no hydrogen 2.834 N/A LEU 100.A N LEU 96.A O no hydrogen 2.810 N/A GLU 101.A N LYS 97.A O no hydrogen 3.071 N/A LYS 102.A N ILE 99.A O no hydrogen 3.082 N/A ILE 107.A N VAL 103.A O no hydrogen 2.859 N/A ASN 108.A N VAL 104.A O no hydrogen 3.204 N/A VAL 109.A N PRO 105.A O no hydrogen 3.119 N/A VAL 110.A N LEU 106.A O no hydrogen 3.091 N/A VAL 111.A N ILE 107.A O no hydrogen 2.998 N/A ASP 112.A N ASN 108.A O no hydrogen 2.853 N/A ILE 113.A N VAL 109.A O no hydrogen 2.842 N/A LEU 114.A N VAL 110.A O no hydrogen 3.099 N/A SER 115.A N VAL 111.A O no hydrogen 2.967 N/A SER 115.A OG VAL 111.A O no hydrogen 2.976 N/A SER 115.A OG ASP 112.A O no hydrogen 2.894 N/A ALA 116.A N ASP 112.A O no hydrogen 2.717 N/A GLY 118.A N SER 115.A O no hydrogen 2.762 N/A TYR 119.A N LEU 114.A O no hydrogen 2.832 N/A LEU 120.A N LYS 252.A O no hydrogen 3.148 N/A ASN 121.A ND2 SER 21.A O no hydrogen 2.959 N/A ASN 121.A ND2 SER 24.A O no hydrogen 3.201 N/A ALA 122.A N TYR 119.A O no hydrogen 3.315 N/A THR 123.A N LEU 120.A O no hydrogen 2.988 N/A THR 123.A OG1 LEU 120.A O no hydrogen 3.099 N/A THR 124.A N ASN 121.A O no hydrogen 2.951 N/A ALA 125.A N ASN 121.A O no hydrogen 3.402 N/A LEU 127.A N THR 124.A O no hydrogen 3.118 N/A ALA 128.A N ALA 125.A O no hydrogen 2.846 N/A GLN 129.A NE2 CYS 289.A O no hydrogen 2.709 N/A GLN 129.A NE2 ASP 296.A OD2 no hydrogen 3.020 N/A ILE 131.A N GLN 129.A O no hydrogen 3.099 N/A GLN 132.A N GLN 129.A O no hydrogen 3.045 N/A GLN 132.A NE2 THR 230.A O no hydrogen 3.166 N/A GLN 132.A NE2 SER 291.A O no hydrogen 2.913 N/A TRP 135.A N ASP 138.A OD2 no hydrogen 2.675 N/A TRP 135.A NE1 SER 84.A OG no hydrogen 2.745 N/A ASP 138.A N TRP 135.A O no hydrogen 2.930 N/A LEU 141.A N ASN 139.A OD1 no hydrogen 2.960 N/A ARG 142.A N ASN 139.A O no hydrogen 2.915 N/A GLN 143.A NE2 PRO 140.A O no hydrogen 3.042 N/A GLN 143.A NE2 LEU 293.A O no hydrogen 2.842 N/A ILE 144.A N LEU 141.A O no hydrogen 2.967 N/A HIS 146.A N GLU 232.A OE1 no hydrogen 3.186 N/A HIS 146.A NE2 GLN 186.A OE1 no hydrogen 2.413 N/A PHE 147.A N ILE 144.A O no hydrogen 3.174 N/A ASN 148.A N HIS 146.A O no hydrogen 2.854 N/A ILE 151.A N ASN 148.A OD1 no hydrogen 2.951 N/A LEU 152.A N ASN 148.A O no hydrogen 3.020 N/A GLU 153.A N ASN 149.A O no hydrogen 2.925 N/A LYS 154.A N LYS 150.A O no hydrogen 2.929 N/A LYS 154.A NZ GLU 175.A O no hydrogen 2.457 N/A LYS 154.A NZ THR 178.A OG1 no hydrogen 2.740 N/A CYS 155.A N LEU 152.A O no hydrogen 3.133 N/A CYS 155.A SG ILE 151.A O no hydrogen 3.517 N/A LYS 156.A N LEU 152.A O no hydrogen 3.097 N/A GLU 157.A N GLU 153.A O no hydrogen 3.252 N/A ASN 159.A N LYS 156.A O no hydrogen 2.887 N/A VAL 160.A N CYS 155.A O no hydrogen 2.578 N/A GLU 161.A N ASP 165.A OD2 no hydrogen 2.966 N/A THR 162.A N ASP 165.A OD2 no hydrogen 3.156 N/A TYR 164.A OH PRO 195.A O no hydrogen 2.677 N/A ASP 165.A N THR 162.A OG1 no hydrogen 3.028 N/A ILE 166.A N THR 162.A O no hydrogen 3.229 N/A LEU 168.A N ILE 166.A O no hydrogen 3.141 N/A ILE 176.A N GLU 172.A O no hydrogen 3.165 N/A LEU 177.A N ARG 173.A O no hydrogen 2.722 N/A THR 178.A N ILE 176.A O no hydrogen 2.972 N/A THR 178.A OG1 THR 178.A O no hydrogen 2.620 N/A THR 180.A N GLN 183.A OE1 no hydrogen 2.654 N/A GLN 183.A N THR 180.A OG1 no hydrogen 3.033 N/A LEU 184.A N THR 180.A O no hydrogen 2.800 N/A ALA 185.A N ASP 181.A O no hydrogen 2.934 N/A ALA 185.A N SER 182.A O no hydrogen 3.331 N/A GLN 186.A NE2 SER 182.A O no hydrogen 2.555 N/A VAL 187.A N GLN 183.A O no hydrogen 3.013 N/A ALA 188.A N LEU 184.A O no hydrogen 2.780 N/A ALA 189.A N ALA 185.A O no hydrogen 2.925 N/A PHE 190.A N GLN 186.A O no hydrogen 3.323 N/A VAL 191.A N VAL 187.A O no hydrogen 2.994 N/A ASN 192.A N ALA 188.A O no hydrogen 2.740 N/A ASN 193.A N PHE 190.A O no hydrogen 3.300 N/A ASN 193.A ND2 ALA 189.A O no hydrogen 3.382 N/A TYR 194.A N VAL 191.A O no hydrogen 3.378 N/A TYR 194.A OH LEU 293.A O no hydrogen 2.537 N/A GLU 198.A N THR 219.A O no hydrogen 2.588 N/A THR 200.A N GLN 217.A O no hydrogen 3.132 N/A SER 202.A N THR 215.A O no hydrogen 2.853 N/A SER 206.A OG ASN 205.A O no hydrogen 2.693 N/A SER 208.A OG ASP 207.A OD2 no hydrogen 3.122 N/A VAL 210.A N SER 208.A OG no hydrogen 3.333 N/A GLN 212.A N PHE 273.A O no hydrogen 3.362 N/A LYS 213.A NZ GLU 270.A OE2 no hydrogen 3.567 N/A ILE 214.A N LEU 271.A O no hydrogen 3.154 N/A THR 215.A N SER 202.A O no hydrogen 2.838 N/A ILE 216.A N TYR 269.A O no hydrogen 2.821 N/A GLN 217.A N THR 200.A O no hydrogen 2.897 N/A GLN 217.A NE2 THR 200.A OG1 no hydrogen 3.065 N/A LEU 218.A N GLN 267.A O no hydrogen 2.808 N/A THR 219.A N GLU 198.A O no hydrogen 2.756 N/A THR 219.A OG1 GLU 265.A O no hydrogen 3.326 N/A ARG 220.A N GLU 265.A O no hydrogen 2.843 N/A ARG 220.A NE LEU 262.A O no hydrogen 2.520 N/A ARG 220.A NH2 GLU 240.A OE2 no hydrogen 2.331 N/A ARG 220.A NH2 LEU 262.A O no hydrogen 3.035 N/A GLN 228.A N ASN 226.A OD1 no hydrogen 2.664 N/A VAL 229.A N LYS 238.A O no hydrogen 2.701 N/A THR 230.A N TYR 292.A OH no hydrogen 3.371 N/A THR 230.A OG1 ALA 189.A O no hydrogen 3.086 N/A SER 231.A OG ILE 131.A O no hydrogen 2.491 N/A TYR 234.A N SER 231.A OG no hydrogen 2.864 N/A ASP 237.A N LEU 1.A O no hydrogen 2.448 N/A LYS 238.A NZ LEU 239.A O no hydrogen 3.037 N/A LYS 238.A NZ ASP 290.A OD2 no hydrogen 2.859 N/A GLU 240.A N LEU 227.A O no hydrogen 2.837 N/A SER 241.A N ASP 290.A OD1 no hydrogen 2.997 N/A SER 241.A OG VAL 260.A O no hydrogen 3.391 N/A TRP 242.A N VAL 260.A O no hydrogen 2.744 N/A TRP 242.A NE1 GLU 240.A OE2 no hydrogen 2.804 N/A TRP 243.A N VAL 288.A O no hydrogen 2.787 N/A LEU 244.A N LYS 258.A O no hydrogen 2.727 N/A VAL 245.A N TRP 286.A O no hydrogen 2.895 N/A LEU 246.A N ALA 256.A O no hydrogen 2.912 N/A GLY 247.A N THR 284.A O no hydrogen 3.001 N/A GLU 248.A N GLU 253.A O no hydrogen 2.928 N/A LYS 251.A N GLU 248.A O no hydrogen 3.132 N/A LYS 252.A N VAL 249.A O no hydrogen 2.875 N/A GLU 253.A N GLU 248.A O no hydrogen 3.213 N/A LEU 254.A N GLY 118.A O no hydrogen 2.835 N/A TYR 255.A OH GLU 248.A OE2 no hydrogen 2.382 N/A ALA 256.A N LEU 246.A O no hydrogen 3.247 N/A LYS 258.A N LEU 244.A O no hydrogen 2.900 N/A VAL 260.A N TRP 242.A O no hydrogen 2.793 N/A LYS 264.A N GLN 267.A OE1 no hydrogen 2.400 N/A LYS 264.A NZ GLU 223.A OE2 no hydrogen 3.119 N/A THR 266.A OG1 GLN 217.A OE1 no hydrogen 3.499 N/A GLN 267.A N LEU 218.A O no hydrogen 2.775 N/A GLN 267.A NE2 LEU 218.A O no hydrogen 2.938 N/A GLN 267.A NE2 LYS 264.A O no hydrogen 3.134 N/A GLN 268.A NE2 GLN 217.A OE1 no hydrogen 3.581 N/A TYR 269.A N ILE 216.A O no hydrogen 2.677 N/A LEU 271.A N ILE 214.A O no hydrogen 3.321 N/A PHE 273.A N GLN 212.A O no hydrogen 3.270 N/A THR 275.A OG1 VAL 210.A O no hydrogen 1.937 N/A HIS 281.A N ILE 303.A O no hydrogen 3.160 N/A LEU 283.A N PHE 301.A O no hydrogen 2.834 N/A THR 284.A N GLY 247.A O no hydrogen 2.924 N/A ILE 285.A N LEU 299.A O no hydrogen 2.730 N/A TRP 286.A N VAL 245.A O no hydrogen 2.837 N/A CYS 287.A N LYS 297.A O no hydrogen 2.728 N/A VAL 288.A N TRP 243.A O no hydrogen 2.951 N/A CYS 289.A N ASP 296.A OD1 no hydrogen 2.846 N/A CYS 289.A SG SER 241.A O no hydrogen 3.749 N/A ASP 290.A N SER 241.A O no hydrogen 2.816 N/A SER 291.A OG ASP 290.A OD1 no hydrogen 2.808 N/A LEU 293.A N GLN 143.A OE1 no hydrogen 3.044 N/A LYS 297.A N CYS 287.A O no hydrogen 3.103 N/A LEU 299.A N ILE 285.A O no hydrogen 3.030 N/A SER 300.A OG THR 284.A OG1 no hydrogen 3.340 N/A PHE 301.A N LEU 283.A O no hydrogen 2.633 N/A ILE 303.A N HIS 281.A O no hydrogen 2.998 N/A ASN 304.A ND2 ILE 303.A O no hydrogen 3.189 N/A LYS 306.A N ASP 207.A O no hydrogen 3.082 N/A