Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qbd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ILE 17.A O no hydrogen 2.984 N/A VAL 5.A N VAL 15.A O no hydrogen 2.736 N/A VAL 7.A N TYR 13.A O no hydrogen 2.794 N/A VAL 9.A N VAL 7.A O no hydrogen 2.953 N/A TYR 13.A N VAL 7.A O no hydrogen 3.286 N/A VAL 15.A N VAL 5.A O no hydrogen 2.730 N/A VAL 16.A N VAL 160.A O no hydrogen 2.814 N/A ILE 17.A N VAL 3.A O no hydrogen 2.729 N/A GLY 18.A N VAL 162.A O no hydrogen 3.118 N/A GLY 20.A N ASP 163.A OD1 no hydrogen 3.030 N/A LEU 21.A N ASP 163.A OD2 no hydrogen 3.140 N/A GLU 24.A N GLU 24.A OE1 no hydrogen 2.666 N/A LEU 25.A N LEU 21.A O no hydrogen 3.173 N/A GLU 26.A N LEU 22.A O no hydrogen 3.171 N/A ASP 27.A N ASP 23.A O no hydrogen 3.000 N/A LEU 28.A N GLU 24.A O no hydrogen 3.042 N/A LEU 29.A N LEU 25.A O no hydrogen 2.916 N/A LEU 29.A N GLU 26.A O no hydrogen 3.177 N/A ALA 30.A N GLU 26.A O no hydrogen 2.907 N/A ARG 32.A N LEU 29.A O no hydrogen 3.002 N/A ARG 32.A NH1 LYS 93.A O no hydrogen 3.173 N/A ARG 32.A NH1 ASP 94.A O no hydrogen 3.276 N/A ARG 32.A NH1 SER 120.A OG no hydrogen 2.977 N/A LYS 34.A N ASP 94.A OD1 no hydrogen 3.209 N/A LYS 34.A NZ ASP 60.A OD2 no hydrogen 3.151 N/A LYS 34.A NZ ILE 88.A O no hydrogen 3.234 N/A VAL 35.A N ASP 60.A O no hydrogen 3.446 N/A ALA 36.A N ALA 95.A O no hydrogen 3.061 N/A VAL 37.A N HIS 62.A O no hydrogen 2.972 N/A VAL 38.A N VAL 97.A O no hydrogen 2.627 N/A HIS 39.A N ILE 64.A O no hydrogen 2.842 N/A GLN 40.A N LEU 99.A O no hydrogen 3.082 N/A LEU 43.A N GLN 40.A O no hydrogen 3.082 N/A ALA 47.A N LEU 43.A O no hydrogen 2.856 N/A GLU 48.A N ALA 44.A O no hydrogen 3.017 N/A GLU 49.A N GLU 45.A O no hydrogen 3.258 N/A ILE 50.A N THR 46.A O no hydrogen 3.097 N/A ARG 51.A N ALA 47.A O no hydrogen 2.825 N/A ARG 51.A NE GLU 48.A OE1 no hydrogen 3.350 N/A ARG 51.A NE GLU 48.A OE2 no hydrogen 3.162 N/A ARG 51.A NH2 GLU 48.A OE2 no hydrogen 2.919 N/A LYS 52.A N GLU 48.A O no hydrogen 2.724 N/A ARG 53.A N GLU 49.A O no hydrogen 2.838 N/A ARG 53.A NH1 GLU 26.A OE1 no hydrogen 2.440 N/A ARG 53.A NH2 GLU 26.A OE1 no hydrogen 2.788 N/A LEU 54.A N ILE 50.A O no hydrogen 2.990 N/A ALA 55.A N ARG 51.A O no hydrogen 3.046 N/A GLY 56.A N LYS 52.A O no hydrogen 3.086 N/A LYS 57.A N LEU 54.A O no hydrogen 3.184 N/A LYS 57.A NZ GLU 26.A OE2 no hydrogen 3.292 N/A GLY 58.A N ALA 55.A O no hydrogen 2.800 N/A VAL 59.A N LEU 54.A O no hydrogen 3.202 N/A ASP 60.A N HIS 33.A O no hydrogen 2.971 N/A HIS 62.A N VAL 35.A O no hydrogen 2.856 N/A ARG 63.A NE GLU 48.A OE1 no hydrogen 2.622 N/A ARG 63.A NH2 GLU 48.A OE1 no hydrogen 3.527 N/A ILE 64.A N VAL 37.A O no hydrogen 2.794 N/A ILE 66.A N HIS 39.A O no hydrogen 3.065 N/A GLY 72.A N ALA 69.A O no hydrogen 2.970 N/A LYS 73.A N GLU 70.A O no hydrogen 2.928 N/A LYS 73.A NZ ASP 106.A OD2 no hydrogen 2.636 N/A ASP 74.A N ALA 71.A O no hydrogen 3.489 N/A LEU 75.A N ASN 143.A O no hydrogen 2.995 N/A VAL 77.A N ASP 74.A O no hydrogen 2.736 N/A VAL 78.A N ASP 74.A O no hydrogen 3.293 N/A GLY 79.A N LEU 75.A O no hydrogen 2.996 N/A PHE 80.A N PRO 76.A O no hydrogen 2.954 N/A ILE 81.A N VAL 77.A O no hydrogen 2.928 N/A TRP 82.A N VAL 78.A O no hydrogen 3.087 N/A TRP 82.A NE1 THR 114.A OG1 no hydrogen 2.946 N/A GLU 83.A N GLY 79.A O no hydrogen 3.028 N/A VAL 84.A N PHE 80.A O no hydrogen 2.934 N/A LEU 85.A N ILE 81.A O no hydrogen 2.779 N/A GLY 86.A N TRP 82.A O no hydrogen 2.845 N/A ARG 87.A N GLU 83.A O no hydrogen 2.952 N/A ILE 88.A N VAL 84.A O no hydrogen 2.852 N/A GLY 89.A N LEU 85.A O no hydrogen 3.023 N/A GLY 89.A N GLY 86.A O no hydrogen 3.295 N/A ILE 90.A N LEU 85.A O no hydrogen 2.960 N/A GLY 91.A N ASP 94.A OD2 no hydrogen 2.532 N/A ASP 94.A N GLY 91.A O no hydrogen 2.900 N/A ALA 95.A N LYS 34.A O no hydrogen 3.167 N/A LEU 96.A N SER 120.A O no hydrogen 2.823 N/A VAL 97.A N ALA 36.A O no hydrogen 2.746 N/A SER 98.A N VAL 122.A O no hydrogen 3.049 N/A SER 98.A OG HIS 123.A ND1 no hydrogen 2.818 N/A LEU 99.A N VAL 38.A O no hydrogen 2.890 N/A GLY 100.A N LEU 124.A O no hydrogen 3.409 N/A GLY 101.A N GLN 40.A OE1 no hydrogen 2.842 N/A THR 105.A N GLY 101.A O no hydrogen 3.241 N/A THR 105.A OG1 GLY 102.A O no hydrogen 3.128 N/A ASP 106.A N GLY 102.A O no hydrogen 2.993 N/A VAL 107.A N ALA 103.A O no hydrogen 3.095 N/A ALA 108.A N ALA 104.A O no hydrogen 2.913 N/A GLY 109.A N THR 105.A O no hydrogen 2.682 N/A PHE 110.A N ASP 106.A O no hydrogen 2.794 N/A ALA 111.A N VAL 107.A O no hydrogen 3.083 N/A ALA 112.A N ALA 108.A O no hydrogen 2.997 N/A ALA 113.A N GLY 109.A O no hydrogen 2.948 N/A THR 114.A N PHE 110.A O no hydrogen 3.015 N/A THR 114.A N ALA 111.A O no hydrogen 3.216 N/A THR 114.A OG1 PHE 110.A O no hydrogen 2.654 N/A THR 114.A OG1 ALA 111.A O no hydrogen 3.306 N/A TRP 115.A N ALA 112.A O no hydrogen 3.462 N/A TRP 115.A NE1 ILE 90.A O no hydrogen 2.912 N/A GLY 118.A N TRP 115.A O no hydrogen 2.765 N/A VAL 119.A N ALA 112.A O no hydrogen 3.072 N/A VAL 122.A N LEU 96.A O no hydrogen 3.014 N/A HIS 123.A N ALA 159.A O no hydrogen 3.118 N/A HIS 123.A ND1 SER 98.A OG no hydrogen 2.818 N/A LEU 124.A N SER 98.A O no hydrogen 2.906 N/A THR 126.A N GLY 100.A O no hydrogen 2.745 N/A GLY 130.A N THR 127.A OG1 no hydrogen 2.865 N/A MET 131.A N THR 127.A O no hydrogen 2.783 N/A VAL 132.A N LEU 128.A O no hydrogen 2.982 N/A ASP 133.A N LEU 129.A O no hydrogen 2.817 N/A ALA 134.A N LEU 129.A O no hydrogen 3.320 N/A ALA 135.A N GLY 130.A O no hydrogen 3.018 N/A VAL 136.A N ASP 133.A O no hydrogen 3.282 N/A GLY 137.A N TYR 13.A OH no hydrogen 2.936 N/A THR 140.A N ALA 153.A O no hydrogen 3.063 N/A THR 140.A OG1 ALA 153.A O no hydrogen 2.707 N/A ILE 142.A N VAL 151.A O no hydrogen 2.952 N/A ASN 143.A N LYS 73.A O no hydrogen 2.886 N/A ASN 143.A ND2 GLU 70.A OE1 no hydrogen 3.299 N/A THR 144.A N GLY 147.A O no hydrogen 3.301 N/A ALA 146.A N THR 144.A OG1 no hydrogen 3.020 N/A GLY 147.A N THR 144.A O no hydrogen 2.817 N/A LYS 148.A NZ GLU 70.A OE1 no hydrogen 3.198 N/A ASN 149.A N ILE 142.A O no hydrogen 3.014 N/A ALA 153.A N THR 140.A OG1 no hydrogen 2.763 N/A HIS 155.A N GLY 138.A O no hydrogen 2.850 N/A HIS 155.A NE2 VAL 119.A O no hydrogen 2.922 N/A LEU 158.A N ILE 121.A O no hydrogen 2.742 N/A VAL 160.A N PRO 14.A O no hydrogen 2.937 N/A LEU 161.A N HIS 123.A O no hydrogen 2.753 N/A VAL 162.A N VAL 16.A O no hydrogen 2.733 N/A LEU 164.A N GLY 18.A O no hydrogen 2.877 N/A ALA 165.A N ASP 163.A OD1 no hydrogen 2.970 N/A THR 166.A N ASP 163.A O no hydrogen 3.089 N/A THR 166.A OG1 ASP 163.A O no hydrogen 2.733 N/A LEU 167.A N LEU 164.A O no hydrogen 2.948 N/A GLN 168.A N ALA 165.A O no hydrogen 3.223 N/A THR 169.A OG1 THR 166.A O no hydrogen 3.522 N/A LEU 170.A N LEU 167.A O no hydrogen 2.831 N/A MET 175.A N PRO 171.A O no hydrogen 3.126 N/A ILE 176.A N ARG 172.A O no hydrogen 2.816 N/A CYS 177.A N ASP 173.A O no hydrogen 3.191 N/A GLY 178.A N GLU 174.A O no hydrogen 2.991 N/A MET 179.A N ILE 176.A O no hydrogen 3.165 N/A GLU 181.A N GLY 178.A O no hydrogen 3.258 N/A VAL 183.A N MET 179.A O no hydrogen 2.835 N/A LYS 184.A N ALA 180.A O no hydrogen 2.787 N/A LYS 184.A NZ GLU 181.A OE1 no hydrogen 2.899 N/A LYS 184.A NZ LEU 235.A O no hydrogen 2.689 N/A ALA 185.A N GLU 181.A O no hydrogen 3.019 N/A GLY 186.A N VAL 182.A O no hydrogen 3.041 N/A PHE 187.A N VAL 183.A O no hydrogen 3.144 N/A ILE 188.A N LYS 184.A O no hydrogen 3.188 N/A ALA 189.A N ALA 185.A O no hydrogen 3.207 N/A ASP 190.A N ALA 185.A O no hydrogen 3.241 N/A VAL 192.A N ASP 190.A OD1 no hydrogen 3.207 N/A ASP 195.A N PRO 191.A O no hydrogen 3.084 N/A LEU 196.A N VAL 192.A O no hydrogen 2.747 N/A ILE 197.A N ILE 193.A O no hydrogen 3.058 N/A GLU 198.A N LEU 194.A O no hydrogen 2.892 N/A ALA 199.A N ASP 195.A O no hydrogen 3.074 N/A ALA 203.A N ASP 200.A O no hydrogen 2.708 N/A ALA 203.A N ASP 200.A OD1 no hydrogen 3.160 N/A ALA 204.A N ASP 200.A O no hydrogen 3.241 N/A LEU 205.A N GLN 202.A O no hydrogen 3.149 N/A ASP 206.A N ALA 203.A O no hydrogen 3.122 N/A ALA 208.A N ASP 206.A OD1 no hydrogen 3.310 N/A GLY 209.A N ASP 206.A OD2 no hydrogen 3.183 N/A LEU 215.A N VAL 211.A O no hydrogen 3.039 N/A ILE 216.A N LEU 212.A O no hydrogen 2.933 N/A ARG 217.A N PRO 213.A O no hydrogen 3.012 N/A ARG 218.A N GLU 214.A O no hydrogen 2.882 N/A ARG 218.A NE GLU 214.A OE2 no hydrogen 2.640 N/A ARG 218.A NH1 ASP 190.A OD2 no hydrogen 2.906 N/A ARG 218.A NH2 GLU 214.A OE2 no hydrogen 3.127 N/A ALA 219.A N LEU 215.A O no hydrogen 2.925 N/A ILE 220.A N ILE 216.A O no hydrogen 2.967 N/A THR 221.A N ARG 217.A O no hydrogen 2.858 N/A THR 221.A OG1 ARG 217.A O no hydrogen 2.938 N/A VAL 222.A N ARG 218.A O no hydrogen 2.986 N/A LYS 223.A N ALA 219.A O no hydrogen 3.124 N/A LYS 223.A NZ ASP 133.A O no hydrogen 2.817 N/A LYS 223.A NZ ASP 133.A OD1 no hydrogen 2.790 N/A LYS 223.A NZ VAL 136.A O no hydrogen 2.849 N/A ALA 224.A N ILE 220.A O no hydrogen 2.692 N/A GLU 225.A N THR 221.A O no hydrogen 2.839 N/A VAL 226.A N VAL 222.A O no hydrogen 3.175 N/A VAL 227.A N LYS 223.A O no hydrogen 2.955 N/A ALA 228.A N ALA 224.A O no hydrogen 3.105 N/A ALA 229.A N VAL 226.A O no hydrogen 3.123 N/A ILE 234.A N LEU 231.A O no hydrogen 2.848 N/A LEU 235.A N ARG 232.A O no hydrogen 3.267 N/A ASN 236.A N GLU 233.A O no hydrogen 2.779 N/A TYR 237.A N ILE 234.A O no hydrogen 3.087 N/A TYR 237.A OH HIS 284.A NE2 no hydrogen 2.789 N/A HIS 239.A N ASN 236.A O no hydrogen 2.720 N/A GLY 242.A N GLY 238.A O no hydrogen 3.188 N/A HIS 243.A N HIS 239.A O no hydrogen 2.809 N/A ILE 245.A N LEU 241.A O no hydrogen 2.943 N/A GLU 246.A N GLY 242.A O no hydrogen 2.962 N/A ARG 247.A N HIS 243.A O no hydrogen 3.040 N/A ARG 248.A N ALA 244.A O no hydrogen 2.892 N/A ARG 248.A NE GLN 304.A OE1 no hydrogen 3.166 N/A ARG 248.A NH1 TYR 297.A OH no hydrogen 2.830 N/A GLU 249.A N ILE 245.A O no hydrogen 3.073 N/A GLU 249.A N GLU 246.A O no hydrogen 3.232 N/A ARG 250.A N ARG 247.A O no hydrogen 3.158 N/A TYR 251.A N GLU 246.A O no hydrogen 3.000 N/A ARG 252.A N GLU 249.A O no hydrogen 2.683 N/A HIS 255.A ND1 GLU 246.A OE2 no hydrogen 2.926 N/A HIS 255.A NE2 GLU 181.A OE2 no hydrogen 2.690 N/A ALA 258.A N ARG 254.A O no hydrogen 3.226 N/A VAL 259.A N HIS 255.A O no hydrogen 2.920 N/A SER 260.A N GLY 256.A O no hydrogen 2.817 N/A SER 260.A OG PRO 294.A O no hydrogen 2.733 N/A VAL 261.A N ALA 257.A O no hydrogen 3.220 N/A GLY 262.A N ALA 258.A O no hydrogen 2.998 N/A LEU 263.A N VAL 259.A O no hydrogen 2.759 N/A VAL 264.A N SER 260.A O no hydrogen 3.241 N/A PHE 265.A N VAL 261.A O no hydrogen 2.920 N/A ALA 266.A N GLY 262.A O no hydrogen 2.903 N/A ALA 267.A N LEU 263.A O no hydrogen 2.819 N/A GLU 268.A N VAL 264.A O no hydrogen 3.128 N/A LEU 269.A N PHE 265.A O no hydrogen 2.879 N/A ALA 270.A N ALA 266.A O no hydrogen 3.008 N/A ARG 271.A N ALA 267.A O no hydrogen 2.934 N/A ARG 271.A NE GLU 268.A OE1 no hydrogen 3.234 N/A ARG 271.A NE GLU 268.A OE2 no hydrogen 3.125 N/A ARG 271.A NH1 ASP 278.A OD1 no hydrogen 2.909 N/A ARG 271.A NH2 GLU 268.A OE2 no hydrogen 2.667 N/A LEU 272.A N GLU 268.A O no hydrogen 2.903 N/A ALA 273.A N LEU 269.A O no hydrogen 3.074 N/A GLY 274.A N ARG 271.A O no hydrogen 2.933 N/A ARG 275.A N ALA 270.A O no hydrogen 3.001 N/A ARG 275.A NE ASP 319.A OD1 no hydrogen 2.851 N/A ARG 275.A NH1 ARG 326.A O no hydrogen 2.711 N/A ARG 275.A NH2 ASP 319.A OD1 no hydrogen 3.510 N/A ARG 275.A NH2 ASP 319.A OD2 no hydrogen 2.820 N/A ARG 275.A NH2 ARG 326.A O no hydrogen 3.154 N/A LEU 276.A N ALA 270.A O no hydrogen 3.293 N/A THR 280.A N ASP 277.A OD2 no hydrogen 2.904 N/A THR 280.A OG1 ASP 277.A OD1 no hydrogen 3.494 N/A THR 280.A OG1 ASP 277.A OD2 no hydrogen 2.648 N/A ALA 281.A N ASP 277.A O no hydrogen 3.024 N/A GLN 282.A N ASP 278.A O no hydrogen 3.071 N/A ARG 283.A N ALA 279.A O no hydrogen 3.029 N/A ARG 283.A NE GLU 198.A OE2 no hydrogen 3.215 N/A ARG 283.A NH2 ASP 195.A OD1 no hydrogen 3.192 N/A ARG 283.A NH2 GLU 198.A OE1 no hydrogen 2.454 N/A HIS 284.A N ALA 281.A O no hydrogen 3.202 N/A HIS 284.A ND1 THR 280.A O no hydrogen 2.913 N/A THR 286.A N GLN 282.A O no hydrogen 3.177 N/A THR 286.A OG1 ARG 283.A O no hydrogen 3.463 N/A ILE 287.A N ARG 283.A O no hydrogen 3.113 N/A LEU 288.A N HIS 284.A O no hydrogen 3.082 N/A SER 289.A N ARG 285.A O no hydrogen 2.961 N/A SER 289.A OG ARG 285.A O no hydrogen 2.863 N/A SER 289.A OG THR 286.A O no hydrogen 3.519 N/A SER 290.A N THR 286.A O no hydrogen 3.077 N/A SER 290.A OG THR 286.A O no hydrogen 3.173 N/A SER 290.A OG ILE 287.A O no hydrogen 2.828 N/A LEU 291.A N ILE 287.A O no hydrogen 3.168 N/A LEU 291.A N LEU 288.A O no hydrogen 2.977 N/A GLY 292.A N SER 289.A O no hydrogen 2.892 N/A LEU 293.A N LEU 288.A O no hydrogen 3.106 N/A TYR 297.A OH GLU 249.A OE2 no hydrogen 2.578 N/A ASP 300.A N ASP 298.A OD1 no hydrogen 3.199 N/A ALA 301.A N ASP 298.A O no hydrogen 3.336 N/A LEU 305.A N ALA 301.A O no hydrogen 2.931 N/A LEU 306.A N LEU 302.A O no hydrogen 2.671 N/A GLU 307.A N PRO 303.A O no hydrogen 3.114 N/A ILE 308.A N GLN 304.A O no hydrogen 2.891 N/A MET 309.A N LEU 305.A O no hydrogen 2.931 N/A ALA 310.A N LEU 306.A O no hydrogen 2.886 N/A ARG 314.A NH2 GLU 233.A OE1 no hydrogen 3.454 N/A PHE 315.A N MET 327.A O no hydrogen 2.748 N/A VAL 317.A N GLY 325.A O no hydrogen 3.251 N/A ASP 319.A N LYS 323.A O no hydrogen 2.641 N/A ALA 322.A N PHE 187.A O no hydrogen 2.859 N/A LYS 323.A N GLY 320.A O no hydrogen 2.865 N/A GLY 325.A N VAL 317.A O no hydrogen 2.560 N/A MET 327.A N PHE 315.A O no hydrogen 2.663 N/A GLY 329.A N LEU 313.A O no hydrogen 2.716 N/A LEU 334.A N ASP 331.A OD2 no hydrogen 3.080 N/A LEU 335.A N ASP 331.A O no hydrogen 3.254 N/A VAL 336.A N PRO 332.A O no hydrogen 3.010 N/A THR 337.A N GLY 333.A O no hydrogen 3.187 N/A THR 337.A OG1 GLY 333.A O no hydrogen 2.828 N/A ALA 338.A N LEU 334.A O no hydrogen 3.107 N/A TYR 339.A N LEU 335.A O no hydrogen 3.021 N/A TYR 339.A OH ASP 298.A O no hydrogen 2.564 N/A ALA 340.A N VAL 336.A O no hydrogen 2.951 N/A GLY 341.A N THR 337.A O no hydrogen 3.075 N/A VAL 342.A N ALA 338.A O no hydrogen 2.978 N/A CYS 343.A N TYR 339.A O no hydrogen 2.775 N/A CYS 343.A SG TYR 297.A O no hydrogen 3.396 N/A CYS 343.A SG TYR 339.A O no hydrogen 3.525 N/A ALA 344.A N ALA 340.A O no hydrogen 3.188 N/A