Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aju_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG GLU 2.A OE2 no hydrogen 3.179 N/A SER 6.A OG GLU 2.A O no hydrogen 3.404 N/A SER 6.A OG GLU 3.A O no hydrogen 3.028 N/A GLU 7.A N GLU 3.A O no hydrogen 2.571 N/A GLU 8.A N LYS 4.A O no hydrogen 3.173 N/A LYS 10.A N SER 6.A O no hydrogen 2.951 N/A ALA 11.A N GLU 7.A O no hydrogen 3.280 N/A TRP 12.A N GLU 8.A O no hydrogen 3.099 N/A LEU 13.A N GLU 9.A O no hydrogen 2.931 N/A MET 14.A N LYS 10.A O no hydrogen 2.888 N/A ALA 15.A N ALA 11.A O no hydrogen 2.987 N/A SER 16.A N TRP 12.A O no hydrogen 2.814 N/A SER 16.A OG TRP 12.A O no hydrogen 2.905 N/A ARG 17.A N LEU 13.A O no hydrogen 2.862 N/A GLN 18.A N MET 14.A O no hydrogen 3.334 N/A GLN 18.A NE2 MET 14.A O no hydrogen 3.552 N/A GLN 19.A N ALA 15.A O no hydrogen 2.978 N/A GLN 19.A NE2 GLU 23.A OE2 no hydrogen 2.749 N/A GLN 19.A NE2 ALA 77.A O no hydrogen 3.328 N/A LEU 20.A N SER 16.A O no hydrogen 2.874 N/A ALA 21.A N ARG 17.A O no hydrogen 3.039 N/A LYS 22.A N GLN 18.A O no hydrogen 3.064 N/A GLU 23.A N GLN 19.A O no hydrogen 2.987 N/A THR 24.A N LEU 20.A O no hydrogen 2.991 N/A THR 24.A OG1 LEU 20.A O no hydrogen 2.944 N/A SER 25.A N ALA 21.A O no hydrogen 3.053 N/A SER 25.A OG ALA 21.A O no hydrogen 3.395 N/A ASN 26.A N LYS 22.A O no hydrogen 3.115 N/A PHE 27.A N GLU 23.A O no hydrogen 2.830 N/A GLY 28.A N THR 24.A O no hydrogen 2.940 N/A PHE 29.A N SER 25.A O no hydrogen 2.919 N/A SER 30.A N ASN 26.A O no hydrogen 2.919 N/A SER 30.A OG ASN 26.A O no hydrogen 3.456 N/A LEU 31.A N PHE 27.A O no hydrogen 3.047 N/A LEU 32.A N GLY 28.A O no hydrogen 2.926 N/A ARG 33.A N PHE 29.A O no hydrogen 3.154 N/A ARG 33.A NE GLU 255.A O no hydrogen 2.847 N/A ARG 33.A NH2 GLU 255.A O no hydrogen 3.442 N/A LYS 34.A N SER 30.A O no hydrogen 3.012 N/A ILE 35.A N LEU 31.A O no hydrogen 2.693 N/A SER 36.A N LEU 32.A O no hydrogen 3.040 N/A SER 36.A OG LEU 32.A O no hydrogen 3.159 N/A SER 36.A OG ARG 33.A O no hydrogen 2.772 N/A MET 37.A N LYS 34.A O no hydrogen 3.157 N/A ARG 38.A N ILE 35.A O no hydrogen 3.233 N/A HIS 39.A N ILE 35.A O no hydrogen 3.117 N/A SER 46.A N GLN 326.A OE1 no hydrogen 3.231 N/A GLY 49.A N SER 46.A OG no hydrogen 2.958 N/A MET 50.A N SER 46.A O no hydrogen 2.836 N/A SER 51.A N PRO 47.A O no hydrogen 2.811 N/A SER 51.A OG PRO 47.A O no hydrogen 3.349 N/A SER 51.A OG PHE 48.A O no hydrogen 2.923 N/A LEU 52.A N PHE 48.A O no hydrogen 2.930 N/A ALA 53.A N GLY 49.A O no hydrogen 3.088 N/A MET 54.A N MET 50.A O no hydrogen 3.096 N/A THR 55.A N SER 51.A O no hydrogen 2.894 N/A THR 55.A OG1 SER 51.A O no hydrogen 3.261 N/A THR 55.A OG1 LEU 52.A O no hydrogen 2.945 N/A GLY 56.A N LEU 52.A O no hydrogen 2.983 N/A LEU 57.A N ALA 53.A O no hydrogen 3.160 N/A MET 58.A N MET 54.A O no hydrogen 2.793 N/A LEU 59.A N THR 55.A O no hydrogen 3.055 N/A ALA 61.A N MET 58.A O no hydrogen 2.927 N/A THR 62.A N ASP 308.A O no hydrogen 3.258 N/A THR 67.A N GLY 63.A O no hydrogen 3.069 N/A THR 67.A OG1 GLY 63.A O no hydrogen 3.450 N/A GLN 68.A N PRO 64.A O no hydrogen 3.083 N/A ILE 69.A N GLU 66.A O no hydrogen 2.902 N/A LYS 70.A N GLU 66.A O no hydrogen 3.217 N/A LYS 70.A NZ LEU 75.A O no hydrogen 3.164 N/A ARG 71.A N THR 67.A O no hydrogen 3.204 N/A GLY 72.A N GLN 68.A O no hydrogen 3.144 N/A LEU 73.A N ILE 69.A O no hydrogen 3.068 N/A HIS 74.A N ARG 71.A O no hydrogen 2.919 N/A LEU 75.A N LYS 70.A O no hydrogen 2.702 N/A GLN 76.A N HIS 74.A O no hydrogen 2.901 N/A LEU 87.A N LEU 84.A O no hydrogen 3.115 N/A PHE 88.A N LEU 84.A O no hydrogen 3.171 N/A LYS 89.A N PRO 85.A O no hydrogen 2.914 N/A GLY 90.A N SER 86.A O no hydrogen 3.095 N/A LEU 91.A N LEU 87.A O no hydrogen 3.177 N/A ARG 92.A N PHE 88.A O no hydrogen 3.102 N/A GLU 93.A N LYS 89.A O no hydrogen 3.107 N/A THR 94.A N GLY 90.A O no hydrogen 3.189 N/A THR 94.A OG1 GLY 90.A O no hydrogen 3.175 N/A LEU 95.A N LEU 91.A O no hydrogen 2.974 N/A SER 96.A N GLU 93.A O no hydrogen 2.972 N/A SER 96.A OG ARG 92.A O no hydrogen 2.698 N/A ARG 97.A N GLU 93.A O no hydrogen 2.832 N/A GLU 100.A N ASN 98.A OD1 no hydrogen 3.139 N/A LEU 101.A N ASN 98.A O no hydrogen 3.278 N/A THR 104.A N LEU 180.A O no hydrogen 2.890 N/A GLY 106.A N TYR 178.A O no hydrogen 2.979 N/A SER 107.A OG THR 131.A OG1 no hydrogen 3.188 N/A SER 107.A OG ASP 177.A OD1 no hydrogen 3.121 N/A PHE 108.A N VAL 176.A O no hydrogen 2.662 N/A ALA 109.A N GLU 132.A O no hydrogen 2.866 N/A PHE 110.A N ILE 174.A O no hydrogen 2.842 N/A ILE 111.A N VAL 134.A O no hydrogen 3.172 N/A HIS 112.A N LYS 172.A O no hydrogen 2.933 N/A PHE 115.A N HIS 112.A O no hydrogen 3.276 N/A LYS 118.A N LEU 312.A O no hydrogen 2.957 N/A LYS 118.A NZ GLU 311.A OE2 no hydrogen 3.503 N/A PHE 122.A N LYS 118.A O no hydrogen 3.296 N/A ASN 123.A N GLU 119.A O no hydrogen 3.000 N/A LEU 124.A N THR 120.A O no hydrogen 3.186 N/A SER 125.A N PHE 121.A O no hydrogen 3.030 N/A SER 125.A OG PHE 121.A O no hydrogen 3.193 N/A LYS 126.A N PHE 122.A O no hydrogen 3.377 N/A ARG 127.A N ASN 123.A O no hydrogen 2.936 N/A TYR 128.A N LEU 124.A O no hydrogen 2.728 N/A PHE 129.A N SER 125.A O no hydrogen 2.981 N/A ASP 130.A N LYS 126.A O no hydrogen 2.920 N/A THR 131.A N SER 125.A O no hydrogen 3.160 N/A THR 131.A OG1 SER 107.A OG no hydrogen 3.188 N/A THR 131.A OG1 SER 125.A O no hydrogen 2.953 N/A GLU 132.A N SER 107.A O no hydrogen 2.902 N/A VAL 134.A N ALA 109.A O no hydrogen 3.008 N/A ASN 137.A ND2 ASN 140.A OD1 no hydrogen 3.674 N/A ARG 139.A NH1 GLU 170.A OE2 no hydrogen 3.153 N/A ARG 139.A NH2 GLU 170.A OE1 no hydrogen 2.891 N/A ARG 139.A NH2 GLU 170.A OE2 no hydrogen 3.439 N/A GLN 143.A N GLN 143.A OE1 no hydrogen 2.809 N/A ALA 144.A N ASN 140.A O no hydrogen 3.146 N/A LYS 145.A N ALA 141.A O no hydrogen 2.969 N/A ARG 146.A N SER 142.A O no hydrogen 3.364 N/A LEU 147.A N GLN 143.A O no hydrogen 3.151 N/A MET 148.A N ALA 144.A O no hydrogen 2.962 N/A ASN 149.A N LYS 145.A O no hydrogen 2.920 N/A ASN 149.A ND2 PHE 164.A O no hydrogen 3.273 N/A HIS 150.A N ARG 146.A O no hydrogen 3.143 N/A TYR 151.A N LEU 147.A O no hydrogen 3.352 N/A ILE 152.A N MET 148.A O no hydrogen 3.126 N/A ASN 153.A N ASN 149.A O no hydrogen 2.980 N/A LYS 154.A N HIS 150.A O no hydrogen 2.991 N/A GLU 155.A N TYR 151.A O no hydrogen 3.198 N/A THR 156.A N ILE 152.A O no hydrogen 2.832 N/A THR 156.A OG1 ILE 152.A O no hydrogen 2.670 N/A THR 156.A OG1 ILE 160.A O no hydrogen 3.522 N/A ARG 157.A N LYS 154.A O no hydrogen 3.006 N/A GLY 158.A N ASN 153.A O no hydrogen 2.874 N/A LYS 159.A N THR 156.A O no hydrogen 3.254 N/A LYS 159.A NZ GLU 331.A OE1 no hydrogen 3.186 N/A ILE 160.A N THR 156.A OG1 no hydrogen 3.265 N/A PHE 164.A N ASN 149.A OD1 no hydrogen 3.009 N/A ASN 168.A N GLU 346.A OE2 no hydrogen 3.417 N/A GLU 170.A N ASN 168.A OD1 no hydrogen 3.137 N/A THR 171.A N ASN 168.A O no hydrogen 3.051 N/A THR 171.A OG1 ASN 168.A O no hydrogen 2.623 N/A THR 171.A OG1 GLU 346.A OE2 no hydrogen 3.183 N/A LYS 172.A N ILE 347.A O no hydrogen 2.799 N/A LEU 173.A N ILE 347.A O no hydrogen 3.168 N/A ILE 174.A N PHE 110.A O no hydrogen 2.789 N/A LEU 175.A N SER 345.A O no hydrogen 3.205 N/A VAL 176.A N PHE 108.A O no hydrogen 2.964 N/A ASP 177.A N ILE 343.A O no hydrogen 2.698 N/A TYR 178.A N GLY 106.A O no hydrogen 2.986 N/A ILE 179.A N ALA 341.A O no hydrogen 2.902 N/A LEU 180.A N THR 104.A O no hydrogen 2.726 N/A PHE 181.A N ALA 339.A O no hydrogen 2.812 N/A LYS 182.A N GLY 102.A O no hydrogen 2.796 N/A GLY 183.A N THR 337.A O no hydrogen 2.781 N/A TRP 185.A N ARG 335.A O no hydrogen 3.056 N/A TRP 185.A NE1 ASP 333.A O no hydrogen 2.908 N/A LEU 186.A N PRO 234.A O no hydrogen 3.030 N/A PHE 189.A N GLU 334.A O no hydrogen 3.147 N/A VAL 192.A N ASP 190.A OD1 no hydrogen 3.021 N/A PHE 193.A N ASP 190.A O no hydrogen 2.947 N/A THR 194.A N PRO 191.A O no hydrogen 3.344 N/A THR 194.A OG1 GLU 334.A OE2 no hydrogen 2.667 N/A GLU 195.A N MET 211.A O no hydrogen 2.965 N/A ASP 197.A N VAL 209.A O no hydrogen 2.961 N/A THR 198.A N ASP 197.A OD1 no hydrogen 2.845 N/A PHE 199.A N ILE 207.A O no hydrogen 2.712 N/A ASP 202.A N LYS 205.A O no hydrogen 3.313 N/A TYR 204.A N ASP 202.A OD1 no hydrogen 2.697 N/A LYS 205.A N ASP 202.A OD1 no hydrogen 2.741 N/A ILE 207.A N PHE 199.A O no hydrogen 2.847 N/A VAL 209.A N ASP 197.A O no hydrogen 2.884 N/A MET 211.A N GLU 195.A O no hydrogen 2.678 N/A MET 212.A N PHE 279.A O no hydrogen 2.866 N/A GLY 214.A N VAL 277.A O no hydrogen 2.993 N/A GLY 216.A N MET 275.A O no hydrogen 3.032 N/A PHE 218.A N ARG 273.A O no hydrogen 3.110 N/A SER 220.A N LYS 271.A O no hydrogen 3.119 N/A THR 221.A N VAL 230.A O no hydrogen 2.989 N/A THR 221.A OG1 ASN 269.A O no hydrogen 3.216 N/A ASP 223.A N CYS 228.A O no hydrogen 2.950 N/A ASN 225.A N ASP 223.A OD1 no hydrogen 2.930 N/A PHE 226.A N ASP 223.A OD1 no hydrogen 3.235 N/A ARG 227.A NH1 GLU 247.A OE1 no hydrogen 3.178 N/A CYS 228.A N ASP 223.A O no hydrogen 3.112 N/A HIS 229.A N LEU 245.A O no hydrogen 2.853 N/A VAL 230.A N THR 221.A O no hydrogen 2.864 N/A LEU 231.A N VAL 243.A O no hydrogen 2.887 N/A LYS 232.A N ALA 219.A O no hydrogen 2.952 N/A LEU 233.A N MET 241.A O no hydrogen 2.861 N/A TYR 235.A N ALA 239.A O no hydrogen 2.932 N/A TYR 235.A OH THR 337.A OG1 no hydrogen 2.691 N/A GLN 236.A N LYS 184.A O no hydrogen 2.837 N/A MET 241.A N LEU 233.A O no hydrogen 3.006 N/A VAL 243.A N LEU 231.A O no hydrogen 2.882 N/A LEU 245.A N HIS 229.A O no hydrogen 2.893 N/A GLU 247.A N ARG 227.A O no hydrogen 2.962 N/A ASP 256.A N ALA 253.A O no hydrogen 3.194 N/A TYR 257.A N LEU 254.A O no hydrogen 2.776 N/A THR 259.A OG1 TYR 257.A O no hydrogen 3.459 N/A THR 260.A N ASN 26.A OD1 no hydrogen 3.189 N/A THR 260.A OG1 LYS 22.A O no hydrogen 3.306 N/A VAL 263.A N THR 259.A O no hydrogen 3.259 N/A GLU 264.A N THR 260.A O no hydrogen 2.949 N/A THR 265.A N ASP 261.A O no hydrogen 2.819 N/A THR 265.A OG1 ASP 261.A O no hydrogen 2.970 N/A TRP 266.A N LEU 262.A O no hydrogen 3.054 N/A TRP 266.A NE1 ASP 223.A OD2 no hydrogen 2.872 N/A LEU 267.A N VAL 263.A O no hydrogen 2.939 N/A ARG 268.A N GLU 264.A O no hydrogen 3.011 N/A ASN 269.A N THR 265.A O no hydrogen 3.121 N/A ASN 269.A N TRP 266.A O no hydrogen 2.872 N/A LYS 271.A N SER 220.A O no hydrogen 3.079 N/A ARG 273.A N PHE 218.A O no hydrogen 3.153 N/A MET 275.A N GLY 216.A O no hydrogen 2.829 N/A VAL 277.A N GLY 214.A O no hydrogen 2.841 N/A PHE 279.A N MET 212.A O no hydrogen 2.946 N/A LYS 281.A N PRO 210.A O no hydrogen 3.375 N/A PHE 282.A N VAL 332.A O no hydrogen 3.327 N/A LEU 284.A N ILE 330.A O no hydrogen 2.898 N/A GLN 286.A N THR 328.A O no hydrogen 2.972 N/A TYR 288.A N GLN 326.A O no hydrogen 2.947 N/A TYR 288.A OH GLN 286.A OE1 no hydrogen 3.387 N/A MET 290.A N VAL 324.A O no hydrogen 2.642 N/A LEU 294.A N MET 290.A O no hydrogen 2.729 N/A ARG 295.A N HIS 291.A O no hydrogen 3.145 N/A GLN 296.A N GLU 292.A O no hydrogen 3.083 N/A MET 297.A N LEU 293.A O no hydrogen 3.145 N/A GLY 298.A N ARG 295.A O no hydrogen 3.075 N/A ILE 299.A N LEU 294.A O no hydrogen 3.078 N/A ARG 300.A N GLN 68.A OE1 no hydrogen 3.037 N/A ARG 300.A NE ARG 295.A O no hydrogen 3.324 N/A ARG 301.A N GLN 68.A OE1 no hydrogen 2.854 N/A PHE 303.A N ARG 300.A O no hydrogen 2.960 N/A SER 304.A N ARG 301.A O no hydrogen 3.082 N/A SER 304.A OG ARG 301.A O no hydrogen 3.024 N/A PHE 306.A N SER 304.A OG no hydrogen 3.211 N/A ALA 307.A N SER 304.A O no hydrogen 3.110 N/A ASP 308.A N THR 65.A OG1 no hydrogen 3.119 N/A SER 310.A OG ASP 308.A OD1 no hydrogen 2.700 N/A GLU 311.A N GLY 60.A O no hydrogen 3.133 N/A LEU 312.A N LEU 309.A O no hydrogen 3.093 N/A SER 313.A N LEU 309.A O no hydrogen 3.262 N/A ARG 317.A NH1 ARG 317.A O no hydrogen 3.447 N/A LEU 319.A N ARG 317.A O no hydrogen 2.587 N/A GLN 320.A N THR 348.A O no hydrogen 3.066 N/A VAL 321.A N ILE 302.A O no hydrogen 3.069 N/A SER 322.A N GLU 346.A O no hydrogen 2.838 N/A SER 322.A OG GLU 346.A O no hydrogen 3.297 N/A SER 322.A OG GLU 346.A OE1 no hydrogen 3.191 N/A SER 322.A OG THR 348.A OG1 no hydrogen 2.682 N/A LEU 325.A N LEU 344.A O no hydrogen 3.152 N/A GLN 326.A N TYR 288.A O no hydrogen 2.960 N/A ARG 327.A N GLY 342.A O no hydrogen 2.935 N/A ARG 327.A NE ASP 285.A OD1 no hydrogen 3.097 N/A ARG 327.A NH2 ASP 285.A OD1 no hydrogen 3.489 N/A ARG 327.A NH2 ASP 285.A OD2 no hydrogen 2.716 N/A THR 328.A N GLN 286.A O no hydrogen 2.933 N/A THR 328.A OG1 VAL 44.A O no hydrogen 3.532 N/A VAL 329.A N VAL 340.A O no hydrogen 2.752 N/A ILE 330.A N LEU 284.A O no hydrogen 3.102 N/A GLU 331.A N GLU 338.A O no hydrogen 2.904 N/A VAL 332.A N PHE 282.A O no hydrogen 2.760 N/A ASP 333.A N GLY 336.A O no hydrogen 2.922 N/A GLU 334.A N GLU 334.A OE1 no hydrogen 2.754 N/A THR 337.A N GLY 183.A O no hydrogen 2.859 N/A THR 337.A OG1 TYR 235.A OH no hydrogen 2.691 N/A GLU 338.A N GLU 331.A O no hydrogen 3.019 N/A ALA 339.A N PHE 181.A O no hydrogen 2.856 N/A VAL 340.A N VAL 329.A O no hydrogen 2.743 N/A ALA 341.A N ILE 179.A O no hydrogen 3.010 N/A GLY 342.A N ARG 327.A O no hydrogen 2.788 N/A ILE 343.A N ASP 177.A O no hydrogen 2.691 N/A LEU 344.A N LEU 325.A O no hydrogen 3.064 N/A SER 345.A N LEU 175.A O no hydrogen 2.940 N/A GLU 346.A N ARG 323.A O no hydrogen 2.765 N/A ILE 347.A N LEU 173.A O no hydrogen 2.714 N/A THR 348.A N GLN 320.A O no hydrogen 2.698 N/A THR 348.A OG1 SER 322.A OG no hydrogen 2.682 N/A ALA 349.A N GLU 170.A O no hydrogen 2.885 N/A