Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u6s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N THR 25.A O no hydrogen 2.722 N/A ALA 6.A N GLY 47.A O no hydrogen 3.030 N/A LEU 7.A N ALA 27.A O no hydrogen 2.894 N/A LEU 8.A N LEU 49.A O no hydrogen 2.902 N/A THR 14.A N ASP 12.A OD1 no hydrogen 2.767 N/A THR 14.A OG1 ASP 12.A OD1 no hydrogen 2.884 N/A GLU 16.A N GLU 16.A OE2 no hydrogen 2.661 N/A MET 17.A N CYS 13.A O no hydrogen 3.048 N/A ILE 19.A N GLU 16.A O no hydrogen 2.998 N/A LEU 20.A N MET 17.A O no hydrogen 2.983 N/A ASP 22.A N ASP 22.A OD1 no hydrogen 2.564 N/A VAL 23.A N LEU 20.A O no hydrogen 2.993 N/A ALA 24.A N LEU 20.A O no hydrogen 3.075 N/A THR 25.A N PRO 3.A O no hydrogen 2.889 N/A THR 25.A OG1 MET 2.A O no hydrogen 2.846 N/A ALA 27.A N VAL 5.A O no hydrogen 2.973 N/A CYS 29.A N LEU 7.A O no hydrogen 2.871 N/A CYS 29.A SG LEU 7.A O no hydrogen 3.811 N/A ASP 30.A N GLY 10.A O no hydrogen 2.885 N/A ALA 31.A N LEU 8.A O no hydrogen 2.787 N/A GLN 32.A N GLU 36.A OE2 no hydrogen 2.810 N/A THR 34.A OG1 ASP 60.A OD1 no hydrogen 2.943 N/A GLU 36.A N SER 33.A O no hydrogen 3.123 N/A ILE 37.A N THR 34.A O no hydrogen 2.936 N/A LEU 42.A N HIS 38.A O no hydrogen 3.037 N/A ASN 43.A N GLU 39.A O no hydrogen 2.671 N/A GLU 44.A N LYS 40.A O no hydrogen 2.868 N/A ALA 45.A N VAL 41.A O no hydrogen 2.892 N/A VAL 46.A N LEU 4.A O no hydrogen 2.879 N/A GLY 47.A N LEU 4.A O no hydrogen 3.267 N/A ALA 48.A N ILE 69.A O no hydrogen 2.856 N/A LEU 49.A N ALA 6.A O no hydrogen 2.803 N/A MET 50.A N VAL 71.A O no hydrogen 3.186 N/A TYR 51.A N ASP 9.A OD1 no hydrogen 2.788 N/A TYR 51.A N ASP 9.A OD2 no hydrogen 3.214 N/A THR 53.A N ASP 9.A OD2 no hydrogen 3.195 N/A THR 53.A OG1 ASP 9.A OD2 no hydrogen 2.565 N/A LEU 56.A N ASN 79.A O no hydrogen 2.906 N/A THR 57.A N ASP 60.A OD2 no hydrogen 3.280 N/A ARG 58.A NE SER 84.A OG no hydrogen 3.025 N/A ASP 60.A N THR 57.A OG1 no hydrogen 3.229 N/A LEU 61.A N THR 57.A O no hydrogen 2.853 N/A GLU 62.A N ARG 58.A O no hydrogen 2.897 N/A LYS 63.A N ASP 60.A O no hydrogen 3.133 N/A LYS 63.A NZ THR 34.A OG1 no hydrogen 2.844 N/A PHE 64.A N LEU 61.A O no hydrogen 3.031 N/A LYS 65.A N LEU 42.A O no hydrogen 2.921 N/A ARG 68.A N VAL 46.A O no hydrogen 2.762 N/A ILE 69.A N VAL 46.A O no hydrogen 3.324 N/A ILE 70.A N ALA 91.A O no hydrogen 2.790 N/A VAL 71.A N ALA 48.A O no hydrogen 2.819 N/A ARG 72.A N CYS 93.A O no hydrogen 2.819 N/A ARG 72.A NE GLY 76.A O no hydrogen 2.636 N/A ARG 72.A NH1 MET 50.A O no hydrogen 3.114 N/A ARG 72.A NH2 GLY 76.A O no hydrogen 2.820 N/A ILE 73.A N MET 50.A O no hydrogen 2.857 N/A ASN 79.A N ASN 79.A OD1 no hydrogen 2.663 N/A ASN 79.A ND2 TYR 51.A O no hydrogen 3.109 N/A ASN 79.A ND2 ILE 54.A O no hydrogen 2.914 N/A ILE 80.A N PHE 77.A O no hydrogen 3.137 N/A ASP 81.A N LEU 56.A O no hydrogen 3.057 N/A SER 84.A N ASP 81.A OD1 no hydrogen 2.986 N/A SER 84.A OG ASP 81.A OD1 no hydrogen 3.273 N/A SER 84.A OG ASP 81.A OD2 no hydrogen 2.652 N/A ALA 85.A N ASP 81.A O no hydrogen 2.997 N/A GLY 86.A N ILE 82.A O no hydrogen 2.938 N/A ASP 87.A N LYS 83.A O no hydrogen 2.995 N/A LEU 88.A N SER 84.A O no hydrogen 2.872 N/A LEU 88.A N ALA 85.A O no hydrogen 3.053 N/A GLY 89.A N GLY 86.A O no hydrogen 3.010 N/A ILE 90.A N ALA 85.A O no hydrogen 2.728 N/A ALA 91.A N ARG 68.A O no hydrogen 3.073 N/A VAL 92.A N ASN 327.A OD1 no hydrogen 2.918 N/A CYS 93.A N ILE 70.A O no hydrogen 2.826 N/A CYS 93.A SG GLU 309.A OE2 no hydrogen 3.348 N/A ASN 94.A N ASN 324.A O no hydrogen 3.144 N/A ASN 94.A ND2 SER 75.A O no hydrogen 2.960 N/A VAL 95.A N GLY 74.A O no hydrogen 2.767 N/A ALA 98.A N.A VAL 95.A O no hydrogen 3.218 N/A SER 99.A OG.A TRP 293.A O no hydrogen 2.645 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.790 N/A THR 103.A N SER 99.A O.A no hydrogen 2.916 N/A THR 103.A N SER 99.A O.B no hydrogen 2.995 N/A THR 103.A OG1 SER 99.A O.A no hydrogen 2.857 N/A THR 103.A OG1 SER 99.A O.B no hydrogen 2.866 N/A ALA 104.A N VAL 100.A O no hydrogen 3.090 N/A ASP 105.A N GLU 101.A O no hydrogen 2.814 N/A SER 106.A N GLU 102.A O no hydrogen 2.909 N/A SER 106.A OG GLU 102.A O no hydrogen 2.986 N/A SER 106.A OG ALA 292.A O no hydrogen 3.001 N/A THR 107.A N THR 103.A O no hydrogen 2.881 N/A THR 107.A OG1 THR 103.A O no hydrogen 2.793 N/A THR 107.A OG1 THR 239.A OG1 no hydrogen 2.976 N/A LEU 108.A N ALA 104.A O no hydrogen 2.930 N/A CYS 109.A N ASP 105.A O no hydrogen 2.896 N/A HIS 110.A N SER 106.A O no hydrogen 2.975 N/A ILE 111.A N THR 107.A O no hydrogen 2.973 N/A LEU 112.A N LEU 108.A O no hydrogen 2.824 N/A ASN 113.A N CYS 109.A O no hydrogen 2.786 N/A LEU 114.A N HIS 110.A O no hydrogen 3.117 N/A TYR 115.A N ILE 111.A O no hydrogen 3.032 N/A TYR 115.A OH GLU 150.A OE1 no hydrogen 2.684 N/A ARG 116.A N LEU 112.A O no hydrogen 2.804 N/A TRP 120.A NE1 LEU 285.A O no hydrogen 3.267 N/A LEU 121.A N ARG 117.A O no hydrogen 2.935 N/A HIS 122.A N ALA 118.A O no hydrogen 3.074 N/A GLN 123.A N THR 119.A O no hydrogen 2.992 N/A GLN 123.A NE2 GLU 127.A OE2 no hydrogen 3.489 N/A ALA 124.A N TRP 120.A O no hydrogen 2.930 N/A LEU 125.A N LEU 121.A O no hydrogen 3.142 N/A ARG 126.A N HIS 122.A O no hydrogen 2.917 N/A ARG 126.A NE HIS 122.A NE2 no hydrogen 3.175 N/A GLU 127.A N GLN 123.A O no hydrogen 3.029 N/A GLU 127.A N ALA 124.A O no hydrogen 3.111 N/A GLY 128.A N LEU 125.A O no hydrogen 3.006 N/A THR 129.A N ALA 124.A O no hydrogen 3.058 N/A THR 129.A OG1 ALA 124.A O no hydrogen 3.258 N/A GLN 132.A N GLN 136.A OE1 no hydrogen 2.855 N/A SER 133.A N GLN 136.A OE1 no hydrogen 2.823 N/A SER 133.A OG GLN 136.A OE1 no hydrogen 3.328 N/A GLU 135.A N.A GLU 135.A OE1.A no hydrogen 2.751 N/A GLN 136.A N SER 133.A OG no hydrogen 2.989 N/A ILE 137.A N SER 133.A O no hydrogen 3.028 N/A ARG 138.A N VAL 134.A O no hydrogen 3.051 N/A GLU 139.A N GLU 135.A O.A no hydrogen 3.153 N/A GLU 139.A N GLU 135.A O.B no hydrogen 3.138 N/A VAL 140.A N GLN 136.A O no hydrogen 2.907 N/A ALA 141.A N ILE 137.A O no hydrogen 2.918 N/A SER 142.A N GLU 139.A O no hydrogen 3.193 N/A ALA 144.A N ALA 141.A O no hydrogen 2.981 N/A ALA 145.A N TYR 115.A O no hydrogen 3.024 N/A GLY 149.A N GLY 172.A O no hydrogen 3.054 N/A GLU 150.A N ILE 147.A O no hydrogen 2.924 N/A THR 151.A N ASP 206.A OD2 no hydrogen 2.882 N/A LEU 152.A N ASN 174.A O no hydrogen 2.843 N/A GLY 153.A N CYS 207.A O no hydrogen 2.790 N/A ILE 154.A N LEU 176.A O no hydrogen 2.795 N/A ILE 155.A N THR 209.A O no hydrogen 3.056 N/A GLY 156.A N TYR 178.A O no hydrogen 2.992 N/A LEU 157.A N ASP 179.A OD2 no hydrogen 2.908 N/A GLN 162.A N GLY 158.A O no hydrogen 2.899 N/A GLN 162.A NE2 LEU 157.A O no hydrogen 3.122 N/A ALA 163.A N ARG 159.A O no hydrogen 3.170 N/A VAL 164.A N VAL 160.A O no hydrogen 2.812 N/A ALA 165.A N GLY 161.A O no hydrogen 2.919 N/A LEU 166.A N GLN 162.A O no hydrogen 3.092 N/A ARG 167.A N ALA 163.A O no hydrogen 3.298 N/A ARG 167.A NE ASP 105.A OD1 no hydrogen 2.832 N/A ARG 167.A NH1 ALA 163.A O no hydrogen 2.905 N/A ARG 167.A NH2 GLU 101.A OE1 no hydrogen 2.911 N/A ALA 168.A N VAL 164.A O no hydrogen 2.793 N/A LYS 169.A N ALA 165.A O no hydrogen 3.070 N/A LYS 169.A NZ LEU 190.A O no hydrogen 3.402 N/A LYS 169.A NZ GLY 191.A O no hydrogen 3.078 N/A ALA 170.A N ARG 167.A O no hydrogen 3.024 N/A PHE 171.A N ALA 168.A O no hydrogen 2.977 N/A GLY 172.A N LYS 169.A O no hydrogen 3.026 N/A PHE 173.A N ALA 168.A O no hydrogen 3.354 N/A ASN 174.A N GLU 150.A O no hydrogen 2.773 N/A ASN 174.A ND2 THR 151.A OG1 no hydrogen 3.366 N/A LEU 176.A N LEU 152.A O no hydrogen 2.911 N/A PHE 177.A N GLN 193.A O no hydrogen 2.998 N/A TYR 178.A N ILE 154.A O no hydrogen 2.830 N/A TYR 181.A N ASP 179.A OD1 no hydrogen 3.343 N/A LEU 182.A N ASP 179.A O no hydrogen 3.373 N/A GLU 187.A N GLU 187.A OE2 no hydrogen 2.737 N/A ARG 188.A N GLY 185.A O no hydrogen 2.910 N/A ALA 189.A N GLY 185.A O no hydrogen 3.190 N/A LEU 190.A N VAL 186.A O no hydrogen 3.079 N/A GLY 191.A N ARG 188.A O no hydrogen 3.411 N/A LEU 192.A N GLU 187.A O no hydrogen 2.781 N/A GLN 193.A N VAL 175.A O no hydrogen 3.269 N/A ARG 194.A NH1 SER 183.A O no hydrogen 3.157 N/A ARG 194.A NH2 ASP 179.A O no hydrogen 2.710 N/A ARG 194.A NH2 LEU 182.A O no hydrogen 2.906 N/A VAL 195.A N PHE 177.A O no hydrogen 3.117 N/A THR 197.A OG1 ASP 200.A OD2 no hydrogen 2.842 N/A ASP 200.A N THR 197.A OG1 no hydrogen 3.069 N/A LEU 201.A N THR 197.A O no hydrogen 3.212 N/A LEU 202.A N LEU 198.A O no hydrogen 2.918 N/A PHE 203.A N GLN 199.A O no hydrogen 2.805 N/A HIS 204.A N ASP 200.A O no hydrogen 3.172 N/A HIS 204.A N LEU 201.A O no hydrogen 3.329 N/A HIS 204.A ND1 ASP 200.A O no hydrogen 2.973 N/A SER 205.A OG LEU 201.A O no hydrogen 2.600 N/A ASP 206.A N THR 151.A O no hydrogen 2.944 N/A CYS 207.A N THR 151.A O no hydrogen 3.244 N/A VAL 208.A N PHE 235.A O no hydrogen 2.934 N/A THR 209.A N GLY 153.A O no hydrogen 2.913 N/A THR 209.A OG1 HIS 211.A NE2 no hydrogen 2.813 N/A LEU 210.A N VAL 237.A O no hydrogen 3.015 N/A HIS 211.A N ILE 155.A O no hydrogen 2.765 N/A CYS 212.A SG GLY 213.A O no hydrogen 3.985 N/A ASN 215.A N ASN 218.A OD1 no hydrogen 2.879 N/A HIS 217.A N ASN 215.A OD1 no hydrogen 2.933 N/A ASN 218.A N ASN 215.A O no hydrogen 3.502 N/A ASN 218.A ND2 GLY 213.A O no hydrogen 2.865 N/A HIS 220.A N GLY 243.A O no hydrogen 2.827 N/A HIS 220.A NE2 GLU 268.A OE2 no hydrogen 2.836 N/A LEU 221.A N ASN 218.A O no hydrogen 3.185 N/A ILE 222.A N LEU 244.A O no hydrogen 2.981 N/A ASN 223.A N THR 226.A OG1 no hydrogen 2.804 N/A ASN 223.A ND2 HIS 220.A O no hydrogen 2.978 N/A THR 226.A N ASN 223.A OD1 no hydrogen 2.870 N/A THR 226.A OG1 LEU 221.A O no hydrogen 2.900 N/A THR 226.A OG1 ASN 223.A O no hydrogen 3.509 N/A VAL 227.A N ASN 223.A O no hydrogen 2.840 N/A LYS 228.A N PHE 225.A O no hydrogen 3.271 N/A GLN 229.A N THR 226.A O no hydrogen 2.971 N/A MET 230.A N VAL 227.A O no hydrogen 2.989 N/A ARG 231.A NE PHE 203.A O no hydrogen 2.934 N/A ARG 231.A NH1 ASP 206.A OD1 no hydrogen 2.967 N/A GLN 232.A NE2 GLY 257.A O no hydrogen 3.368 N/A GLY 233.A N ARG 258.A O no hydrogen 2.829 N/A ALA 234.A N ARG 231.A O no hydrogen 3.291 N/A PHE 235.A N ASP 206.A O no hydrogen 2.861 N/A LEU 236.A N GLY 261.A O no hydrogen 3.048 N/A VAL 237.A N VAL 208.A O no hydrogen 2.781 N/A ASN 238.A N ALA 263.A O no hydrogen 2.875 N/A ASN 238.A ND2 ARG 241.A O no hydrogen 3.055 N/A THR 239.A OG1 THR 107.A OG1 no hydrogen 2.976 N/A ALA 240.A N ASN 238.A OD1 no hydrogen 2.927 N/A ARG 241.A NE ASP 78.A OD1 no hydrogen 2.669 N/A ARG 241.A NH1 ALA 240.A O no hydrogen 2.871 N/A LEU 244.A N ARG 241.A O no hydrogen 3.165 N/A VAL 245.A N GLY 242.A O no hydrogen 3.131 N/A ASP 246.A N ILE 222.A O no hydrogen 2.904 N/A GLU 247.A N GLU 268.A OE1 no hydrogen 2.943 N/A LYS 248.A N ASP 246.A OD1 no hydrogen 2.990 N/A LEU 250.A N ASP 246.A O no hydrogen 3.101 N/A ALA 251.A N GLU 247.A O no hydrogen 3.002 N/A GLN 252.A N LYS 248.A O no hydrogen 3.173 N/A GLN 252.A NE2 GLU 256.A OE1 no hydrogen 3.007 N/A ALA 253.A N ALA 249.A O no hydrogen 3.033 N/A LEU 254.A N LEU 250.A O no hydrogen 2.927 N/A LYS 255.A N ALA 251.A O no hydrogen 2.981 N/A GLU 256.A N GLN 252.A O no hydrogen 2.964 N/A GLY 257.A N LEU 254.A O no hydrogen 3.142 N/A ARG 258.A NE GLU 256.A OE2 no hydrogen 2.672 N/A ILE 259.A N ALA 253.A O no hydrogen 3.258 N/A ARG 260.A N ALA 234.A O no hydrogen 2.977 N/A ARG 260.A NE GLY 233.A O no hydrogen 3.375 N/A ALA 262.A N ASN 284.A O no hydrogen 3.114 N/A ALA 263.A N LEU 236.A O no hydrogen 2.803 N/A LEU 264.A N ILE 286.A O no hydrogen 2.883 N/A ASP 265.A N ASN 238.A O no hydrogen 2.918 N/A HIS 267.A N GLU 270.A OE2 no hydrogen 2.843 N/A GLU 268.A N GLU 247.A OE2 no hydrogen 2.779 N/A SER 275.A N SER 273.A OG no hydrogen 3.195 N/A GLN 276.A N SER 273.A O no hydrogen 3.401 N/A LYS 280.A N GLY 277.A O no hydrogen 2.989 N/A ALA 282.A N LEU 279.A O no hydrogen 3.196 N/A ILE 286.A N ALA 262.A O no hydrogen 2.852 N/A CYS 287.A SG HIS 267.A NE2 no hydrogen 3.565 N/A THR 288.A N LEU 264.A O no hydrogen 2.906 N/A THR 288.A OG1 HIS 110.A NE2 no hydrogen 3.380 N/A THR 288.A OG1 ASP 265.A OD1 no hydrogen 2.558 N/A HIS 290.A N THR 288.A O no hydrogen 2.999 N/A HIS 290.A ND1 GLU 270.A OE1 no hydrogen 2.793 N/A ALA 291.A N ASP 265.A OD1 no hydrogen 2.857 N/A ALA 292.A N ASP 265.A OD2 no hydrogen 3.044 N/A TRP 293.A NE1 HIS 290.A O no hydrogen 2.886 N/A TYR 294.A N ALA 291.A O no hydrogen 3.035 N/A SER 295.A OG GLU 102.A OE2 no hydrogen 2.710 N/A ALA 298.A N SER 295.A OG no hydrogen 2.940 N/A SER 299.A N SER 295.A O no hydrogen 2.899 N/A ILE 300.A N GLU 296.A O no hydrogen 3.077 N/A GLU 301.A N GLN 297.A O no hydrogen 2.940 N/A MET 302.A N ALA 298.A O no hydrogen 3.055 N/A ARG 303.A N SER 299.A O no hydrogen 3.343 N/A ARG 303.A NE GLU 16.A OE1 no hydrogen 2.818 N/A ARG 303.A NH2 ASP 12.A OD1 no hydrogen 2.837 N/A ARG 303.A NH2 GLU 16.A OE1 no hydrogen 3.545 N/A ARG 303.A NH2 GLU 16.A OE2 no hydrogen 2.950 N/A GLU 304.A N ILE 300.A O no hydrogen 2.955 N/A GLU 305.A N GLU 301.A O no hydrogen 2.948 N/A ALA 306.A N MET 302.A O no hydrogen 2.913 N/A ALA 307.A N ARG 303.A O no hydrogen 3.024 N/A ARG 308.A N GLU 304.A O no hydrogen 3.059 N/A ARG 308.A NH1 GLU 305.A OE1 no hydrogen 2.951 N/A GLU 309.A N GLU 305.A O no hydrogen 3.003 N/A ILE 310.A N ALA 306.A O no hydrogen 3.000 N/A ARG 311.A N ALA 307.A O no hydrogen 2.819 N/A ARG 311.A NH1 ASP 22.A OD2 no hydrogen 2.899 N/A ARG 311.A NH2 ILE 19.A O no hydrogen 2.963 N/A ARG 311.A NH2 ASP 22.A OD1 no hydrogen 2.797 N/A ARG 312.A N ARG 308.A O no hydrogen 2.868 N/A ARG 312.A NE GLU 309.A OE1 no hydrogen 2.975 N/A ARG 312.A NH2 GLU 305.A OE2 no hydrogen 3.030 N/A ARG 312.A NH2 GLU 309.A OE1 no hydrogen 2.890 N/A ALA 313.A N GLU 309.A O no hydrogen 3.088 N/A ILE 314.A N ILE 310.A O no hydrogen 3.071 N/A THR 315.A N ARG 311.A O no hydrogen 2.879 N/A THR 315.A OG1 ARG 311.A O no hydrogen 3.408 N/A GLY 316.A N ARG 312.A O no hydrogen 2.935 N/A ARG 317.A N SER 321.A OG no hydrogen 3.078 N/A SER 321.A N ARG 317.A O no hydrogen 2.990 N/A SER 321.A OG ARG 317.A O no hydrogen 3.113 N/A LEU 322.A N PRO 319.A O no hydrogen 3.174 N/A LYS 323.A N GLU 309.A OE1 no hydrogen 2.998 N/A LYS 323.A N GLU 309.A OE2 no hydrogen 3.289 N/A ASN 324.A N GLU 309.A OE2 no hydrogen 2.815 N/A CYS 325.A SG VAL 92.A O no hydrogen 3.721 N/A CYS 325.A SG ASN 327.A OD1 no hydrogen 3.072 N/A VAL 326.A N VAL 92.A O no hydrogen 2.836 N/A ASN 327.A ND2 ILE 82.A O no hydrogen 3.212 N/A ASN 327.A ND2 ILE 90.A O no hydrogen 2.960 N/A