Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7aaa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N ASP 127.A OD2 no hydrogen 2.804 N/A SER 2.A OG ASP 130.A OD1 no hydrogen 2.738 N/A LEU 4.A N SER 2.A OG no hydrogen 3.111 N/A LYS 6.A NZ ASP 10.A OD2 no hydrogen 3.470 N/A GLN 9.A N PRO 5.A O no hydrogen 3.054 N/A GLN 9.A NE2 SER 2.A O no hydrogen 3.446 N/A GLN 9.A NE2 LEU 4.A O no hydrogen 2.802 N/A ASP 10.A N LYS 6.A O no hydrogen 2.924 N/A LEU 11.A N PRO 7.A O no hydrogen 3.035 N/A ILE 12.A N VAL 8.A O no hydrogen 2.996 N/A LYS 13.A N GLN 9.A O no hydrogen 3.024 N/A MET 14.A N ASP 10.A O no hydrogen 3.003 N/A ILE 15.A N LEU 11.A O no hydrogen 3.080 N/A PHE 16.A N ILE 12.A O no hydrogen 3.056 N/A SER 20.A N ASP 17.A OD1 no hydrogen 2.869 N/A SER 20.A OG ASP 17.A OD1 no hydrogen 3.217 N/A MET 21.A N ASP 17.A O no hydrogen 3.348 N/A LYS 22.A N VAL 18.A O no hydrogen 3.035 N/A LYS 22.A NZ GLU 19.A OE2 no hydrogen 2.861 N/A LYS 23.A N GLU 19.A O no hydrogen 2.926 N/A ALA 24.A N SER 20.A O no hydrogen 2.984 N/A MET 25.A N MET 21.A O no hydrogen 3.138 N/A VAL 26.A N LYS 22.A O no hydrogen 2.981 N/A GLU 27.A N LYS 23.A O no hydrogen 2.979 N/A TYR 28.A N ALA 24.A O no hydrogen 3.245 N/A TYR 28.A N MET 25.A O no hydrogen 3.179 N/A GLU 29.A N VAL 26.A O no hydrogen 2.917 N/A ILE 30.A N MET 25.A O no hydrogen 3.110 N/A ASP 31.A N PRO 80.A O no hydrogen 2.893 N/A GLN 33.A N ASP 31.A OD1 no hydrogen 3.182 N/A LYS 34.A N ASP 31.A OD1 no hydrogen 3.320 N/A LYS 34.A NZ ASP 31.A OD2 no hydrogen 3.529 N/A MET 35.A N ASP 31.A O no hydrogen 2.717 N/A LYS 39.A N PRO 36.A O no hydrogen 2.921 N/A LEU 40.A N LEU 37.A O no hydrogen 3.435 N/A GLN 44.A N SER 41.A OG no hydrogen 3.286 N/A GLN 44.A NE2 LYS 39.A O no hydrogen 2.785 N/A GLN 44.A NE2 SER 41.A OG no hydrogen 3.001 N/A ILE 45.A N SER 41.A O no hydrogen 3.057 N/A GLN 46.A N LYS 42.A O no hydrogen 2.762 N/A ALA 47.A N ARG 43.A O no hydrogen 2.988 N/A ALA 48.A N GLN 44.A O no hydrogen 2.962 N/A TYR 49.A N ILE 45.A O no hydrogen 2.942 N/A TYR 49.A OH ASP 105.A OD1 no hydrogen 2.660 N/A SER 50.A N GLN 46.A O no hydrogen 3.058 N/A ILE 51.A N ALA 47.A O no hydrogen 3.011 N/A LEU 52.A N ALA 48.A O no hydrogen 2.971 N/A SER 53.A N TYR 49.A O no hydrogen 2.931 N/A SER 53.A OG TYR 49.A O no hydrogen 3.435 N/A SER 53.A OG GLU 222.A O no hydrogen 2.800 N/A GLU 54.A N SER 50.A O no hydrogen 3.017 N/A VAL 55.A N ILE 51.A O no hydrogen 2.903 N/A GLN 56.A N LEU 52.A O no hydrogen 2.866 N/A GLN 56.A NE2 SER 53.A O no hydrogen 3.575 N/A GLN 57.A N SER 53.A O no hydrogen 3.047 N/A ALA 58.A N GLU 54.A O no hydrogen 3.161 N/A VAL 59.A N VAL 55.A O no hydrogen 2.853 N/A SER 60.A N GLN 56.A O no hydrogen 2.861 N/A SER 60.A OG GLN 56.A O no hydrogen 3.390 N/A SER 60.A OG GLN 57.A O no hydrogen 2.796 N/A GLN 61.A N GLN 57.A O no hydrogen 3.044 N/A GLY 62.A N VAL 59.A O no hydrogen 3.289 N/A SER 63.A N ALA 58.A O no hydrogen 2.959 N/A SER 63.A OG ALA 58.A O no hydrogen 3.027 N/A SER 64.A N GLN 67.A OE1 no hydrogen 2.783 N/A SER 64.A OG SER 66.A OG no hydrogen 2.863 N/A SER 66.A OG SER 64.A OG no hydrogen 2.863 N/A GLN 67.A N SER 64.A OG no hydrogen 3.256 N/A ILE 68.A N SER 64.A O no hydrogen 2.918 N/A LEU 69.A N ASP 65.A O no hydrogen 2.958 N/A SER 72.A N ILE 68.A O no hydrogen 2.945 N/A ASN 73.A N LEU 69.A O no hydrogen 2.855 N/A ARG 74.A N ASP 70.A O no hydrogen 2.975 N/A ARG 74.A NE GLU 54.A OE1 no hydrogen 3.491 N/A ARG 74.A NH1 GLU 54.A OE1 no hydrogen 3.430 N/A ARG 74.A NH1 GLU 54.A OE2 no hydrogen 2.842 N/A PHE 75.A N LEU 71.A O no hydrogen 3.298 N/A TYR 76.A N SER 72.A O no hydrogen 3.349 N/A TYR 76.A OH PRO 89.A O no hydrogen 2.707 N/A THR 77.A N ASN 73.A O no hydrogen 2.959 N/A THR 77.A OG1 ASN 73.A O no hydrogen 2.827 N/A LEU 78.A N ARG 74.A O no hydrogen 3.270 N/A ILE 79.A N PHE 75.A O no hydrogen 2.929 N/A HIS 81.A ND1 ILE 79.A O no hydrogen 2.738 N/A ASP 82.A N GLU 29.A O no hydrogen 2.800 N/A LYS 86.A N PHE 83.A O no hydrogen 3.142 N/A LEU 91.A N SER 72.A OG no hydrogen 3.011 N/A ASN 92.A ND2 ASP 65.A OD1 no hydrogen 2.786 N/A ASN 92.A ND2 ASP 65.A OD2 no hydrogen 3.521 N/A SER 96.A N ASN 93.A OD1 no hydrogen 2.920 N/A SER 96.A OG ASN 93.A OD1 no hydrogen 3.081 N/A VAL 97.A N ASN 93.A O no hydrogen 3.146 N/A GLN 98.A N ALA 94.A O no hydrogen 2.974 N/A ALA 99.A N ASP 95.A O no hydrogen 2.991 N/A LYS 100.A N SER 96.A O no hydrogen 3.021 N/A ALA 101.A N VAL 97.A O no hydrogen 2.903 N/A GLU 102.A N GLN 98.A O no hydrogen 3.013 N/A MET 103.A N ALA 99.A O no hydrogen 3.078 N/A LEU 104.A N LYS 100.A O no hydrogen 2.908 N/A ASP 105.A N ALA 101.A O no hydrogen 2.956 N/A ASN 106.A N GLU 102.A O no hydrogen 3.168 N/A ASN 106.A ND2 GLU 102.A O no hydrogen 3.009 N/A LEU 107.A N MET 103.A O no hydrogen 2.934 N/A LEU 108.A N LEU 104.A O no hydrogen 2.928 N/A ASP 109.A N ASP 105.A O no hydrogen 3.299 N/A ILE 110.A N ASN 106.A O no hydrogen 2.928 N/A GLU 111.A N LEU 107.A O no hydrogen 2.826 N/A VAL 112.A N LEU 108.A O no hydrogen 3.225 N/A ALA 113.A N ASP 109.A O no hydrogen 3.114 N/A TYR 114.A N ILE 110.A O no hydrogen 2.932 N/A SER 115.A N GLU 111.A O no hydrogen 2.898 N/A SER 115.A OG GLU 111.A O no hydrogen 3.370 N/A SER 115.A OG VAL 112.A O no hydrogen 2.663 N/A LEU 116.A N VAL 112.A O no hydrogen 2.976 N/A LEU 117.A N ALA 113.A O no hydrogen 3.190 N/A ARG 118.A N TYR 114.A O no hydrogen 2.932 N/A GLY 119.A N SER 115.A O no hydrogen 2.895 N/A SER 125.A N ASP 123.A OD1 no hydrogen 3.140 N/A SER 125.A OG ASP 123.A OD1 no hydrogen 2.847 N/A SER 125.A OG ASP 123.A OD2 no hydrogen 3.297 N/A LYS 126.A N ASP 123.A O no hydrogen 3.191 N/A ILE 129.A N ASP 127.A OD1 no hydrogen 3.016 N/A VAL 131.A N ASP 127.A O no hydrogen 3.200 N/A ASN 132.A N PRO 128.A O no hydrogen 2.896 N/A TYR 133.A N ILE 129.A O no hydrogen 2.906 N/A GLU 134.A N ASP 130.A O no hydrogen 3.066 N/A LYS 135.A N ASN 132.A O no hydrogen 3.091 N/A LEU 136.A N TYR 133.A O no hydrogen 3.086 N/A LYS 137.A N GLU 134.A O no hydrogen 3.311 N/A THR 138.A OG1 LEU 136.A O no hydrogen 2.887 N/A ASP 139.A N GLU 179.A O no hydrogen 2.837 N/A ILE 140.A N TYR 133.A OH no hydrogen 2.973 N/A LYS 141.A N LYS 177.A O no hydrogen 3.008 N/A VAL 143.A N ILE 175.A O no hydrogen 2.880 N/A ASP 146.A N ASP 144.A OD1 no hydrogen 3.072 N/A SER 147.A N ASP 144.A O no hydrogen 3.059 N/A SER 147.A OG ASP 144.A O no hydrogen 2.730 N/A ALA 150.A N SER 147.A OG no hydrogen 3.219 N/A GLU 151.A N SER 147.A O no hydrogen 3.139 N/A ILE 152.A N GLU 148.A O no hydrogen 3.022 N/A ILE 153.A N GLU 149.A O no hydrogen 2.974 N/A ARG 154.A N ALA 150.A O no hydrogen 2.875 N/A ARG 154.A NH1 ARG 145.A O no hydrogen 2.994 N/A ARG 154.A NH2 ARG 145.A O no hydrogen 2.818 N/A LYS 155.A N GLU 151.A O no hydrogen 3.056 N/A TYR 156.A N ILE 152.A O no hydrogen 2.946 N/A TYR 156.A OH LEU 198.A O no hydrogen 2.799 N/A VAL 157.A N ILE 153.A O no hydrogen 3.082 N/A LYS 158.A N ARG 154.A O no hydrogen 2.866 N/A ASN 159.A N LYS 155.A O no hydrogen 2.895 N/A ASN 159.A ND2 LEU 310.A O no hydrogen 2.930 N/A THR 160.A N TYR 156.A O no hydrogen 3.297 N/A THR 160.A OG1 TYR 156.A O no hydrogen 2.805 N/A HIS 161.A NE2 HIS 165.A O no hydrogen 2.767 N/A ALA 162.A N SER 241.A OG no hydrogen 2.812 N/A THR 164.A OG1 TYR 325.A OH no hydrogen 2.671 N/A HIS 165.A N ALA 162.A O no hydrogen 2.990 N/A HIS 165.A ND1 SER 241.A OG no hydrogen 2.736 N/A ASP 169.A N ASN 347.A O no hydrogen 2.986 N/A GLU 171.A N LYS 345.A O no hydrogen 2.946 N/A ILE 173.A N LYS 343.A O no hydrogen 2.768 N/A ASP 174.A N LYS 343.A O no hydrogen 3.409 N/A PHE 176.A N LEU 341.A O no hydrogen 2.797 N/A LYS 177.A N LYS 141.A O no hydrogen 2.780 N/A LYS 177.A NZ GLU 149.A OE1 no hydrogen 2.926 N/A LYS 177.A NZ TYR 340.A OH no hydrogen 3.466 N/A ILE 178.A N LYS 339.A O no hydrogen 2.945 N/A GLU 179.A N ASP 139.A O no hydrogen 3.010 N/A ARG 180.A NE LEU 212.A O no hydrogen 2.828 N/A ARG 180.A NH1 SER 213.A O no hydrogen 3.004 N/A ARG 180.A NH2 GLU 183.A OE2 no hydrogen 2.980 N/A GLU 181.A N LYS 137.A O no hydrogen 2.885 N/A GLU 183.A N ARG 180.A O no hydrogen 3.126 N/A ARG 186.A N GLY 182.A O no hydrogen 3.098 N/A TYR 187.A N GLU 183.A O no hydrogen 2.903 N/A TYR 187.A OH GLU 262.A OE2 no hydrogen 2.750 N/A LYS 188.A N GLN 185.A O no hydrogen 3.298 N/A PHE 190.A N TYR 187.A O no hydrogen 2.831 N/A LYS 191.A N LYS 188.A O no hydrogen 3.298 N/A LEU 193.A N PHE 190.A O no hydrogen 3.122 N/A ASN 195.A ND2 GLY 266.A O no hydrogen 2.986 N/A ARG 196.A NE LEU 193.A O no hydrogen 2.851 N/A ARG 196.A NH1 GLU 262.A OE2 no hydrogen 3.284 N/A ARG 197.A N VAL 263.A O no hydrogen 3.019 N/A ARG 197.A NE ASN 195.A OD1 no hydrogen 3.031 N/A ARG 197.A NH2 ASN 195.A OD1 no hydrogen 2.764 N/A LEU 198.A N ASP 307.A O no hydrogen 2.865 N/A LEU 199.A N GLY 261.A O no hydrogen 2.908 N/A TRP 200.A N ALA 237.A O no hydrogen 2.912 N/A HIS 201.A N LEU 259.A O no hydrogen 3.002 N/A HIS 201.A ND1 TYR 235.A O no hydrogen 2.747 N/A ARG 204.A NH1 GLU 27.A OE1 no hydrogen 3.156 N/A ARG 204.A NH2 GLU 27.A OE1 no hydrogen 3.393 N/A ASN 207.A N ARG 204.A O no hydrogen 2.967 N/A ASN 207.A ND2 ASN 106.A OD1 no hydrogen 2.809 N/A ASN 207.A ND2 SER 203.A OG no hydrogen 2.801 N/A PHE 208.A N THR 205.A O no hydrogen 3.108 N/A ILE 211.A N ASN 207.A O no hydrogen 2.946 N/A LEU 212.A N PHE 208.A O no hydrogen 2.883 N/A SER 213.A N ALA 209.A O no hydrogen 3.018 N/A SER 213.A OG ALA 209.A O no hydrogen 3.340 N/A GLN 214.A N GLY 210.A O no hydrogen 2.817 N/A GLY 215.A N ILE 211.A O no hydrogen 2.695 N/A ARG 217.A NH2 ASP 109.A OD1 no hydrogen 2.998 N/A ALA 223.A N PRO 220.A O no hydrogen 3.029 N/A THR 226.A N GLN 56.A OE1 no hydrogen 3.168 N/A THR 226.A OG1 GLN 56.A OE1 no hydrogen 2.809 N/A GLY 227.A N PRO 224.A O no hydrogen 3.100 N/A TYR 228.A N VAL 225.A O no hydrogen 3.391 N/A TYR 228.A OH ASP 105.A OD1 no hydrogen 2.715 N/A PHE 230.A N TYR 235.A OH no hydrogen 2.818 N/A GLY 231.A N TYR 228.A O no hydrogen 3.043 N/A LYS 232.A N ILE 277.A O no hydrogen 3.287 N/A LYS 232.A NZ PRO 220.A O no hydrogen 2.919 N/A LYS 232.A NZ ALA 223.A O no hydrogen 2.813 N/A GLY 233.A N GLY 231.A O no hydrogen 3.136 N/A ILE 234.A N VAL 330.A O no hydrogen 2.838 N/A TYR 235.A OH GLY 231.A O no hydrogen 2.702 N/A PHE 236.A N TYR 328.A O no hydrogen 2.801 N/A ALA 237.A N TRP 200.A O no hydrogen 3.014 N/A VAL 240.A N THR 160.A OG1 no hydrogen 2.927 N/A SER 241.A OG HIS 165.A ND1 no hydrogen 2.736 N/A LYS 242.A NZ TYR 325.A O no hydrogen 3.080 N/A LYS 242.A NZ ASN 326.A O no hydrogen 3.151 N/A LYS 242.A NZ GLU 327.A OE2 no hydrogen 2.795 N/A SER 243.A N MET 239.A O no hydrogen 3.395 N/A ALA 244.A N VAL 240.A O no hydrogen 2.778 N/A ASN 245.A N SER 241.A O no hydrogen 2.985 N/A TYR 246.A N SER 243.A O no hydrogen 2.844 N/A CYS 247.A N ALA 244.A O no hydrogen 2.999 N/A CYS 247.A SG LEU 257.A O no hydrogen 3.249 N/A HIS 248.A N ASN 245.A O no hydrogen 3.473 N/A SER 250.A N ASP 253.A O no hydrogen 2.971 N/A GLN 251.A N GLN 251.A OE1 no hydrogen 2.799 N/A GLN 251.A NE2 THR 350.A O no hydrogen 3.608 N/A ASP 253.A N SER 250.A O no hydrogen 2.879 N/A GLY 256.A N LEU 344.A O no hydrogen 2.845 N/A ILE 258.A N LEU 342.A O no hydrogen 3.016 N/A LEU 259.A N HIS 201.A O no hydrogen 2.839 N/A LEU 260.A N TYR 340.A O no hydrogen 2.847 N/A GLY 261.A N LEU 199.A O no hydrogen 2.888 N/A GLU 262.A N ASN 337.A O no hydrogen 2.781 N/A VAL 263.A N ARG 197.A O no hydrogen 2.843 N/A ALA 264.A N GLN 335.A O no hydrogen 2.896 N/A LEU 265.A N ASN 195.A O no hydrogen 3.067 N/A GLY 266.A N HIS 194.A O no hydrogen 3.126 N/A ASN 267.A N HIS 285.A ND1 no hydrogen 2.955 N/A ASN 267.A ND2 GLY 283.A O no hydrogen 3.068 N/A TYR 269.A N SER 286.A O no hydrogen 2.776 N/A LEU 271.A N LYS 288.A O no hydrogen 2.945 N/A LYS 272.A NZ ASN 319.A O no hydrogen 2.898 N/A HIS 273.A ND1 SER 322.A OG no hydrogen 2.670 N/A SER 275.A N MET 229.A O no hydrogen 3.037 N/A HIS 276.A ND1 TYR 228.A O no hydrogen 2.826 N/A ILE 277.A N SER 275.A O no hydrogen 3.054 N/A LYS 284.A N PRO 281.A O no hydrogen 3.113 N/A LYS 284.A NZ ASN 267.A OD1 no hydrogen 3.087 N/A LYS 284.A NZ MET 268.A O no hydrogen 2.969 N/A HIS 285.A N ASN 267.A O no hydrogen 2.772 N/A SER 286.A OG LEU 265.A O no hydrogen 2.688 N/A VAL 287.A N ILE 329.A O no hydrogen 2.873 N/A LYS 288.A N TYR 269.A O no hydrogen 2.884 N/A GLY 289.A N GLU 327.A O no hydrogen 2.773 N/A LEU 290.A N LEU 271.A O no hydrogen 2.810 N/A GLY 291.A N ASN 326.A OD1 no hydrogen 2.922 N/A LYS 292.A N LEU 323.A O no hydrogen 2.961 N/A THR 293.A N LEU 324.A O no hydrogen 3.017 N/A THR 294.A N ILE 314.A O no hydrogen 2.905 N/A THR 294.A OG1 PRO 295.A O no hydrogen 3.296 N/A ASP 296.A N THR 312.A O no hydrogen 2.903 N/A SER 298.A N ASP 296.A OD1 no hydrogen 3.113 N/A SER 298.A OG ASP 296.A OD1 no hydrogen 2.888 N/A ALA 299.A N ASP 296.A O no hydrogen 2.901 N/A ASN 300.A N PRO 297.A O no hydrogen 3.502 N/A ILE 301.A N VAL 308.A O no hydrogen 3.241 N/A LEU 303.A N VAL 306.A O no hydrogen 2.874 N/A VAL 306.A N LEU 303.A O no hydrogen 3.192 N/A ASP 307.A N ARG 196.A O no hydrogen 3.122 N/A VAL 308.A N ILE 301.A O no hydrogen 2.769 N/A LEU 310.A N VAL 308.A O no hydrogen 2.870 N/A ILE 314.A N THR 294.A O no hydrogen 2.884 N/A SER 316.A N LYS 292.A O no hydrogen 2.949 N/A SER 316.A OG GLY 291.A O no hydrogen 2.717 N/A SER 316.A OG LYS 292.A O no hydrogen 3.096 N/A GLY 317.A N SER 315.A OG no hydrogen 3.286 N/A VAL 318.A N SER 316.A OG no hydrogen 3.052 N/A THR 321.A OG1 LYS 272.A O no hydrogen 3.293 N/A THR 321.A OG1 LEU 290.A O no hydrogen 2.644 N/A SER 322.A N LYS 272.A O no hydrogen 2.986 N/A SER 322.A OG HIS 273.A ND1 no hydrogen 2.670 N/A LEU 323.A N THR 321.A OG1 no hydrogen 3.306 N/A TYR 325.A OH THR 164.A OG1 no hydrogen 2.671 N/A ASN 326.A ND2 ASP 238.A OD2 no hydrogen 2.861 N/A ASN 326.A ND2 THR 294.A OG1 no hydrogen 3.164 N/A GLU 327.A N GLY 289.A O no hydrogen 3.076 N/A TYR 328.A N PHE 236.A O no hydrogen 2.915 N/A TYR 328.A OH ASP 238.A OD2 no hydrogen 2.721 N/A ILE 329.A N VAL 287.A O no hydrogen 2.926 N/A VAL 330.A N ILE 234.A O no hydrogen 3.110 N/A TYR 331.A OH PHE 230.A O no hydrogen 2.632 N/A ALA 334.A N ASP 332.A OD1 no hydrogen 3.063 N/A GLN 335.A N ASP 332.A O no hydrogen 3.063 N/A GLN 335.A NE2 ALA 264.A O no hydrogen 2.846 N/A GLN 335.A NE2 HIS 285.A O no hydrogen 2.887 N/A VAL 336.A N ILE 333.A O no hydrogen 3.459 N/A ASN 337.A N GLU 262.A O no hydrogen 2.868 N/A ASN 337.A ND2 GLU 183.A OE1 no hydrogen 3.093 N/A LEU 338.A N GLU 183.A OE1 no hydrogen 2.745 N/A LYS 339.A N LEU 260.A O no hydrogen 2.937 N/A LYS 339.A NZ ASN 337.A OD1 no hydrogen 3.185 N/A TYR 340.A N LEU 260.A O no hydrogen 3.073 N/A TYR 340.A OH GLU 149.A OE1 no hydrogen 2.823 N/A LEU 341.A N PHE 176.A O no hydrogen 2.899 N/A LEU 342.A N ILE 258.A O no hydrogen 2.786 N/A LYS 343.A N ASP 174.A O no hydrogen 3.005 N/A LEU 344.A N GLY 256.A O no hydrogen 2.779 N/A LYS 345.A N GLU 171.A O no hydrogen 2.829 N/A PHE 346.A N PRO 254.A O no hydrogen 2.798 N/A ASN 347.A N ASP 169.A O no hydrogen 2.887 N/A ASN 347.A ND2 ASP 169.A OD1 no hydrogen 3.425 N/A ASN 347.A ND2 ASP 169.A OD2 no hydrogen 3.408 N/A LYS 349.A N ALA 167.A O no hydrogen 2.794 N/A LYS 349.A NZ ASP 169.A OD2 no hydrogen 2.818 N/A