Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bxx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N THR 26.A O no hydrogen 2.813 N/A CYS 4.A N GLY 75.A O no hydrogen 3.266 N/A CYS 4.A SG ARG 28.A O no hydrogen 3.418 N/A VAL 5.A N ARG 28.A O no hydrogen 3.260 N/A THR 6.A N PHE 77.A O no hydrogen 3.217 N/A THR 6.A OG1 PHE 77.A O no hydrogen 3.472 N/A THR 6.A OG1 HIS 78.A ND1 no hydrogen 2.801 N/A GLY 7.A N THR 30.A OG1 no hydrogen 3.079 N/A ALA 8.A N THR 30.A O no hydrogen 3.018 N/A SER 14.A N GLY 10.A O no hydrogen 2.861 N/A SER 14.A OG GLY 10.A O no hydrogen 2.585 N/A SER 14.A OG PHE 11.A O no hydrogen 3.410 N/A LEU 16.A N ILE 12.A O no hydrogen 3.040 N/A VAL 17.A N GLY 13.A O no hydrogen 2.915 N/A MET 18.A N SER 14.A O no hydrogen 2.904 N/A ARG 19.A N TRP 15.A O no hydrogen 3.021 N/A ARG 19.A NE ASP 227.A OD1 no hydrogen 2.826 N/A ARG 19.A NH2 ASP 227.A OD1 no hydrogen 3.313 N/A ARG 19.A NH2 ASP 227.A OD2 no hydrogen 3.323 N/A LEU 20.A N LEU 16.A O no hydrogen 2.910 N/A LEU 21.A N VAL 17.A O no hydrogen 3.133 N/A GLU 22.A N MET 18.A O no hydrogen 3.457 N/A ARG 23.A N ARG 19.A O no hydrogen 3.104 N/A ARG 23.A NE GLU 238.A OE2 no hydrogen 3.031 N/A ARG 23.A NH2 GLU 238.A OE1 no hydrogen 3.071 N/A GLY 24.A N LEU 21.A O no hydrogen 3.029 N/A TYR 25.A N LEU 20.A O no hydrogen 2.905 N/A TYR 25.A OH GLU 238.A OE2 no hydrogen 2.524 N/A THR 26.A N GLU 1.A O no hydrogen 2.941 N/A THR 26.A OG1 HIS 52.A ND1 no hydrogen 3.177 N/A VAL 27.A N HIS 52.A O no hydrogen 2.797 N/A ARG 28.A N VAL 3.A O no hydrogen 2.846 N/A ALA 29.A N THR 54.A O no hydrogen 3.312 N/A THR 30.A N VAL 5.A O no hydrogen 2.900 N/A VAL 31.A N TRP 56.A O no hydrogen 2.790 N/A THR 35.A OG1 ASP 33.A OD1 no hydrogen 2.499 N/A ASN 36.A N ASP 33.A O no hydrogen 3.046 N/A VAL 40.A N ASN 36.A O no hydrogen 3.365 N/A VAL 40.A N VAL 37.A O no hydrogen 3.029 N/A LYS 41.A N VAL 37.A O no hydrogen 2.766 N/A HIS 42.A NE2 SER 9.A O no hydrogen 2.878 N/A LEU 43.A N VAL 40.A O no hydrogen 3.240 N/A LEU 44.A N VAL 40.A O no hydrogen 3.293 N/A ASP 45.A N LYS 41.A O no hydrogen 3.065 N/A LEU 46.A N LEU 43.A O no hydrogen 3.280 N/A ALA 49.A N LEU 46.A O no hydrogen 2.876 N/A HIS 52.A N LYS 48.A O no hydrogen 3.074 N/A HIS 52.A ND1 THR 26.A OG1 no hydrogen 3.177 N/A LEU 53.A N ALA 49.A O no hydrogen 3.299 N/A THR 54.A N VAL 27.A O no hydrogen 3.138 N/A TRP 56.A N ALA 29.A O no hydrogen 2.889 N/A TRP 56.A NE1 THR 54.A OG1 no hydrogen 2.849 N/A LYS 57.A NZ ARG 32.A O no hydrogen 3.268 N/A ALA 58.A N VAL 31.A O no hydrogen 3.147 N/A ASP 59.A N SER 65.A OG no hydrogen 2.972 N/A ALA 61.A N ASP 59.A OD1 no hydrogen 3.096 N/A ASP 62.A N ASP 59.A O no hydrogen 2.635 N/A SER 65.A N ASP 62.A O no hydrogen 3.270 N/A SER 65.A OG ASP 59.A O no hydrogen 3.109 N/A SER 65.A OG ASP 62.A O no hydrogen 3.238 N/A ASP 67.A N GLY 64.A O no hydrogen 3.058 N/A ILE 70.A N PHE 66.A O no hydrogen 2.997 N/A LYS 71.A N ASP 67.A O no hydrogen 2.825 N/A CYS 73.A N ILE 70.A O no hydrogen 3.177 N/A CYS 73.A SG ALA 69.A O no hydrogen 3.466 N/A CYS 73.A SG ILE 70.A O no hydrogen 3.576 N/A THR 74.A N THR 2.A O no hydrogen 2.870 N/A THR 74.A OG1 GLU 1.A OE1 no hydrogen 2.892 N/A THR 74.A OG1 THR 2.A O no hydrogen 3.375 N/A VAL 76.A N ARG 117.A O no hydrogen 3.247 N/A PHE 77.A N CYS 4.A O no hydrogen 3.009 N/A HIS 78.A N VAL 119.A O no hydrogen 2.948 N/A HIS 78.A ND1 THR 6.A OG1 no hydrogen 2.801 N/A VAL 79.A N THR 6.A OG1 no hydrogen 2.487 N/A ALA 80.A N THR 6.A OG1 no hydrogen 2.979 N/A ASP 84.A N TYR 158.A OH no hydrogen 3.077 N/A PHE 85.A N MET 83.A O no hydrogen 2.837 N/A GLU 86.A N GLU 93.A OE2 no hydrogen 2.930 N/A SER 87.A N GLU 93.A OE1 no hydrogen 3.061 N/A SER 87.A OG ASP 84.A O no hydrogen 2.565 N/A SER 87.A OG ASP 84.A OD2 no hydrogen 2.683 N/A ASN 92.A N ASP 89.A OD1 no hydrogen 3.054 N/A ASN 92.A ND2 ASP 89.A OD2 no hydrogen 3.485 N/A GLU 93.A N ASP 89.A O no hydrogen 2.799 N/A VAL 94.A N PRO 90.A O no hydrogen 2.883 N/A ILE 95.A N PRO 90.A O no hydrogen 3.095 N/A ILE 95.A N GLU 91.A O no hydrogen 3.239 N/A LYS 96.A N GLU 91.A O no hydrogen 2.994 N/A LYS 96.A NZ GLU 100.A OE1 no hydrogen 2.773 N/A LYS 96.A NZ GLU 100.A OE2 no hydrogen 2.815 N/A THR 98.A N VAL 94.A O no hydrogen 3.115 N/A THR 98.A OG1 VAL 94.A O no hydrogen 2.393 N/A ILE 99.A N ILE 95.A O no hydrogen 2.956 N/A GLU 100.A N LYS 96.A O no hydrogen 2.724 N/A GLY 101.A N PRO 97.A O no hydrogen 3.252 N/A MET 102.A N THR 98.A O no hydrogen 2.864 N/A LEU 103.A N ILE 99.A O no hydrogen 3.020 N/A GLY 104.A N GLU 100.A O no hydrogen 2.776 N/A ILE 105.A N GLY 101.A O no hydrogen 2.877 N/A MET 106.A N MET 102.A O no hydrogen 3.056 N/A MET 106.A N LEU 103.A O no hydrogen 3.179 N/A LYS 107.A N LEU 103.A O no hydrogen 3.007 N/A SER 108.A N GLY 104.A O no hydrogen 3.119 N/A SER 108.A OG ASP 67.A OD1 no hydrogen 2.409 N/A SER 108.A OG GLY 104.A O no hydrogen 3.446 N/A CYS 109.A N MET 106.A O no hydrogen 3.029 N/A CYS 109.A SG ILE 105.A O no hydrogen 3.177 N/A ALA 110.A N MET 106.A O no hydrogen 3.064 N/A ALA 111.A N LYS 107.A O no hydrogen 2.969 N/A ALA 112.A N SER 108.A O no hydrogen 2.936 N/A ALA 112.A N CYS 109.A O no hydrogen 3.268 N/A ARG 116.A N THR 74.A O no hydrogen 2.625 N/A ARG 117.A NE ASP 179.A OD1 no hydrogen 3.209 N/A ARG 117.A NH1 LEU 236.A O no hydrogen 3.554 N/A ARG 117.A NH1 PHE 237.A O no hydrogen 3.478 N/A ARG 117.A NH1 ASN 239.A O no hydrogen 2.990 N/A ARG 117.A NH2 ASP 179.A OD1 no hydrogen 3.160 N/A VAL 119.A N VAL 76.A O no hydrogen 2.971 N/A PHE 120.A N ILE 181.A O no hydrogen 2.921 N/A THR 121.A N HIS 78.A O no hydrogen 3.117 N/A THR 121.A OG1 HIS 233.A NE2 no hydrogen 2.607 N/A SER 122.A N ILE 183.A O no hydrogen 2.810 N/A SER 122.A OG THR 126.A OG1 no hydrogen 3.407 N/A SER 122.A OG GLU 166.A OE2 no hydrogen 2.537 N/A THR 126.A N SER 123.A O no hydrogen 3.165 N/A THR 126.A OG1 SER 122.A OG no hydrogen 3.407 N/A THR 126.A OG1 SER 123.A O no hydrogen 2.471 N/A VAL 127.A N ALA 124.A O no hydrogen 2.941 N/A ASN 128.A N ALA 124.A O no hydrogen 3.372 N/A ASN 128.A ND2 GLN 133.A OE1 no hydrogen 3.239 N/A ILE 129.A N SER 143.A OG no hydrogen 3.121 N/A GLN 130.A NE2 VAL 127.A O no hydrogen 3.338 N/A GLN 130.A NE2 TRP 142.A O no hydrogen 3.692 N/A GLN 133.A NE2 ASN 128.A O no hydrogen 3.037 N/A GLN 133.A NE2 GLN 130.A O no hydrogen 3.316 N/A LEU 134.A N TYR 137.A OH no hydrogen 3.265 N/A TYR 137.A N CYS 286.A O no hydrogen 2.834 N/A TYR 137.A OH GLN 130.A OE1 no hydrogen 2.739 N/A SER 140.A N ASP 138.A OD1 no hydrogen 3.221 N/A SER 140.A OG ASP 138.A OD1 no hydrogen 2.466 N/A CYS 141.A N ASP 138.A O no hydrogen 3.222 N/A CYS 141.A SG ASP 138.A O no hydrogen 3.461 N/A CYS 141.A SG ASP 138.A OD1 no hydrogen 3.919 N/A SER 143.A N THR 126.A O no hydrogen 2.520 N/A SER 143.A OG GLY 125.A O no hydrogen 2.546 N/A ASP 144.A N ILE 129.A O no hydrogen 2.923 N/A GLU 146.A N ASP 144.A OD1 no hydrogen 3.220 N/A PHE 147.A N ASP 144.A O no hydrogen 2.982 N/A CYS 148.A N ASP 144.A O no hydrogen 3.147 N/A ARG 149.A N MET 145.A O no hydrogen 3.197 N/A ARG 149.A NH1 GLU 91.A OE2 no hydrogen 3.500 N/A ALA 150.A N GLU 146.A O no hydrogen 2.751 N/A LYS 152.A N CYS 148.A O no hydrogen 2.866 N/A LYS 152.A NZ ARG 149.A O no hydrogen 2.971 N/A TRP 156.A N MET 153.A O no hydrogen 3.174 N/A PHE 159.A N ALA 155.A O no hydrogen 3.286 N/A VAL 160.A N TRP 156.A O no hydrogen 3.061 N/A SER 161.A N MET 157.A O no hydrogen 3.088 N/A SER 161.A OG MET 157.A O no hydrogen 2.795 N/A SER 161.A OG TYR 158.A O no hydrogen 3.409 N/A LYS 162.A N PHE 159.A O no hydrogen 3.254 N/A LYS 162.A NZ THR 121.A O no hydrogen 2.733 N/A THR 163.A N PHE 159.A O no hydrogen 2.981 N/A LEU 164.A N VAL 160.A O no hydrogen 2.927 N/A GLU 166.A N LYS 162.A O no hydrogen 2.675 N/A GLN 167.A N THR 163.A O no hydrogen 3.022 N/A ALA 168.A N LEU 164.A O no hydrogen 3.077 N/A ALA 169.A N ALA 165.A O no hydrogen 3.245 N/A TRP 170.A N GLU 166.A O no hydrogen 3.180 N/A TRP 170.A NE1 GLU 166.A OE1 no hydrogen 3.117 N/A LYS 171.A N GLN 167.A O no hydrogen 3.175 N/A LYS 171.A NZ GLU 175.A OE2 no hydrogen 3.366 N/A TYR 172.A N ALA 168.A O no hydrogen 2.971 N/A ALA 173.A N ALA 169.A O no hydrogen 2.654 N/A LYS 174.A N TRP 170.A O no hydrogen 2.934 N/A GLU 175.A N LYS 171.A O no hydrogen 3.336 N/A ASN 176.A N TYR 172.A O no hydrogen 3.060 N/A ASN 176.A ND2 TYR 172.A O no hydrogen 3.502 N/A ASN 177.A N LYS 174.A O no hydrogen 2.865 N/A ILE 178.A N ALA 173.A O no hydrogen 2.996 N/A ILE 181.A N LEU 118.A O no hydrogen 3.239 N/A THR 182.A N GLY 244.A O no hydrogen 3.410 N/A THR 182.A OG1 GLU 166.A OE2 no hydrogen 3.434 N/A ILE 183.A N PHE 120.A O no hydrogen 2.902 N/A ILE 184.A N TYR 246.A O no hydrogen 3.291 N/A THR 186.A OG1 SER 249.A OG no hydrogen 2.791 N/A VAL 189.A N VAL 224.A O no hydrogen 3.183 N/A SER 200.A OG VAL 188.A O no hydrogen 3.544 N/A LEU 201.A N PRO 198.A O no hydrogen 2.910 N/A ILE 202.A N PRO 198.A O no hydrogen 3.288 N/A THR 203.A OG1 HIS 214.A ND1 no hydrogen 2.636 N/A ALA 204.A N SER 200.A O no hydrogen 3.161 N/A LEU 205.A N LEU 201.A O no hydrogen 2.910 N/A SER 206.A N THR 203.A O no hydrogen 3.169 N/A SER 206.A OG THR 203.A O no hydrogen 2.499 N/A THR 209.A N LEU 205.A O no hydrogen 3.071 N/A THR 209.A OG1 LEU 205.A O no hydrogen 3.242 N/A THR 209.A OG1 SER 206.A O no hydrogen 3.126 N/A GLY 210.A N SER 206.A O no hydrogen 2.642 N/A HIS 214.A N ASN 211.A O no hydrogen 2.746 N/A HIS 214.A ND1 THR 203.A OG1 no hydrogen 2.636 N/A ILE 218.A N TYR 215.A O no hydrogen 3.174 N/A ARG 219.A NH2 GLY 277.A O no hydrogen 3.526 N/A GLN 220.A NE2 LYS 283.A O no hydrogen 3.438 N/A GLN 222.A NE2 VAL 285.A O no hydrogen 2.956 N/A PHE 223.A N HIS 251.A O no hydrogen 2.882 N/A ASP 227.A N HIS 225.A ND1 no hydrogen 3.193 N/A LEU 229.A N HIS 225.A O no hydrogen 3.115 N/A CYS 230.A N LEU 226.A O no hydrogen 3.023 N/A CYS 230.A SG LEU 226.A O no hydrogen 3.228 N/A ASN 231.A N ASP 227.A O no hydrogen 2.965 N/A ALA 232.A N ASP 228.A O no hydrogen 2.822 N/A HIS 233.A N LEU 229.A O no hydrogen 3.120 N/A HIS 233.A ND1 LEU 229.A O no hydrogen 2.668 N/A HIS 233.A NE2 THR 121.A OG1 no hydrogen 2.607 N/A ILE 234.A N CYS 230.A O no hydrogen 3.047 N/A TYR 235.A N ASN 231.A O no hydrogen 2.715 N/A LEU 236.A N ALA 232.A O no hydrogen 3.003 N/A PHE 237.A N HIS 233.A O no hydrogen 3.103 N/A GLU 238.A N ILE 234.A O no hydrogen 2.836 N/A LYS 241.A N ASN 239.A OD1 no hydrogen 3.101 N/A ALA 242.A N ASN 239.A O no hydrogen 3.125 N/A ARG 245.A NE GLU 166.A OE2 no hydrogen 3.478 N/A ARG 245.A NH1 GLU 139.A O no hydrogen 3.317 N/A ARG 245.A NH1 CYS 141.A O no hydrogen 3.183 N/A ARG 245.A NH2 GLU 166.A OE2 no hydrogen 3.407 N/A ILE 247.A N GLU 139.A OE2 no hydrogen 2.799 N/A CYS 248.A N ILE 184.A O no hydrogen 2.869 N/A SER 249.A N SER 289.A OG no hydrogen 2.901 N/A SER 249.A OG THR 186.A OG1 no hydrogen 2.791 N/A SER 249.A OG PHE 223.A O no hydrogen 3.100 N/A SER 249.A OG HIS 251.A O no hydrogen 3.379 N/A SER 250.A N PHE 223.A O no hydrogen 2.609 N/A SER 250.A OG HIS 251.A ND1 no hydrogen 2.787 N/A HIS 251.A N PHE 223.A O no hydrogen 3.319 N/A HIS 251.A ND1 SER 250.A OG no hydrogen 2.787 N/A CYS 253.A SG ILE 254.A O no hydrogen 3.956 N/A ILE 255.A N ARG 219.A O no hydrogen 2.979 N/A LEU 258.A N ILE 254.A O no hydrogen 3.375 N/A ALA 259.A N ILE 255.A O no hydrogen 2.838 N/A LYS 260.A N LEU 256.A O no hydrogen 2.858 N/A MET 261.A N ASP 257.A O no hydrogen 2.783 N/A LEU 262.A N LEU 258.A O no hydrogen 2.808 N/A ARG 263.A N ALA 259.A O no hydrogen 2.857 N/A ARG 263.A NH1 ILE 271.A O no hydrogen 3.052 N/A GLU 264.A N LYS 260.A O no hydrogen 3.266 N/A TYR 266.A N LEU 262.A O no hydrogen 2.700 N/A TYR 266.A OH PHE 307.A O no hydrogen 3.390 N/A GLU 268.A N GLU 268.A OE1 no hydrogen 2.519 N/A TYR 269.A N TYR 266.A O no hydrogen 3.004 N/A TYR 269.A OH PRO 321.A O no hydrogen 2.415 N/A VAL 278.A N PHE 275.A O no hydrogen 2.908 N/A LEU 282.A N ASP 279.A O no hydrogen 3.243 N/A SER 284.A OG ASP 252.A O no hydrogen 2.666 N/A SER 284.A OG ASP 252.A OD2 no hydrogen 3.548 N/A CYS 286.A N PRO 135.A O no hydrogen 3.127 N/A CYS 286.A SG ASP 252.A OD1 no hydrogen 2.925 N/A CYS 286.A SG ASP 252.A OD2 no hydrogen 3.418 N/A SER 288.A N TYR 137.A O no hydrogen 2.661 N/A SER 289.A OG ILE 247.A O no hydrogen 3.282 N/A SER 289.A OG SER 249.A O no hydrogen 2.564 N/A LYS 291.A NZ GLU 243.A O no hydrogen 3.178 N/A LYS 291.A NZ ARG 245.A O no hydrogen 2.624 N/A LEU 292.A N SER 289.A O no hydrogen 2.969 N/A THR 293.A N SER 289.A O no hydrogen 3.216 N/A THR 293.A OG1 LYS 290.A O no hydrogen 3.028 N/A ASP 294.A N LYS 290.A O no hydrogen 2.879 N/A LEU 295.A N LEU 292.A O no hydrogen 3.329 N/A GLY 296.A N THR 293.A O no hydrogen 3.012 N/A LYS 300.A N ASP 228.A OD1 no hydrogen 3.115 N/A TYR 301.A OH ASP 227.A OD2 no hydrogen 2.249 N/A SER 302.A N ASP 305.A OD2 no hydrogen 2.723 N/A SER 302.A OG ASP 305.A OD2 no hydrogen 2.964 N/A GLU 304.A N GLU 304.A OE1 no hydrogen 2.835 N/A MET 306.A N SER 302.A O no hydrogen 3.280 N/A PHE 307.A N LEU 303.A O no hydrogen 3.229 N/A THR 308.A N GLU 304.A O no hydrogen 2.870 N/A THR 308.A N ASP 305.A O no hydrogen 3.097 N/A GLY 309.A N ASP 305.A O no hydrogen 2.792 N/A ALA 310.A N MET 306.A O no hydrogen 2.938 N/A VAL 311.A N PHE 307.A O no hydrogen 3.222 N/A ASP 312.A N THR 308.A O no hydrogen 3.110 N/A THR 313.A N GLY 309.A O no hydrogen 3.041 N/A THR 313.A OG1 GLY 309.A O no hydrogen 2.677 N/A CYS 314.A N ALA 310.A O no hydrogen 3.045 N/A CYS 314.A SG ALA 310.A O no hydrogen 3.135 N/A ARG 315.A N VAL 311.A O no hydrogen 2.907 N/A ARG 315.A NH1 GLU 268.A OE2 no hydrogen 3.555 N/A ARG 315.A NH1 PRO 322.A O no hydrogen 3.447 N/A ALA 316.A N ASP 312.A O no hydrogen 2.928 N/A LYS 317.A N THR 313.A O no hydrogen 3.089 N/A GLY 318.A N CYS 314.A O no hydrogen 2.611 N/A LEU 319.A N CYS 314.A O no hydrogen 3.238 N/A HIS 324.A N GLU 268.A O no hydrogen 2.825 N/A