Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4r72_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N ASP 27.A O no hydrogen 3.239 N/A LEU 4.A N LYS 29.A O no hydrogen 2.945 N/A VAL 5.A N ASP 54.A OD2 no hydrogen 2.880 N/A ILE 6.A N SER 31.A O no hydrogen 2.908 N/A TYR 7.A N VAL 55.A O no hydrogen 2.864 N/A TYR 7.A OH GLU 47.A OE1 no hydrogen 2.678 N/A TYR 7.A OH GLU 47.A OE2 no hydrogen 3.416 N/A CYS 8.A N ILE 33.A O no hydrogen 2.857 N/A CYS 8.A SG.A TYR 57.A O no hydrogen 3.420 N/A CYS 8.A SG.B ALA 10.A O no hydrogen 3.445 N/A CYS 8.A SG.B THR 11.A O no hydrogen 3.914 N/A SER 9.A N TYR 57.A O no hydrogen 2.819 N/A SER 9.A OG ASN 35.A O no hydrogen 3.069 N/A SER 9.A OG THR 40.A OG1 no hydrogen 3.225 N/A MET 14.A N THR 11.A OG1 no hydrogen 2.986 N/A CYS 15.A N THR 11.A O no hydrogen 2.905 N/A CYS 15.A SG.A THR 11.A O no hydrogen 2.829 N/A GLU 16.A N ASN 12.A O no hydrogen 2.873 N/A ASN 17.A N VAL 13.A O no hydrogen 3.177 N/A ALA 18.A N MET 14.A O no hydrogen 2.885 N/A ALA 19.A N CYS 15.A O no hydrogen 2.905 N/A LYS 20.A N GLU 16.A O no hydrogen 2.971 N/A THR 21.A N ASN 17.A O no hydrogen 2.962 N/A THR 21.A OG1.A ASN 17.A O no hydrogen 2.787 N/A THR 21.A OG1.B ASN 17.A O no hydrogen 2.784 N/A THR 21.A OG1.B ALA 18.A O no hydrogen 3.161 N/A PHE 22.A N ALA 18.A O no hydrogen 2.882 N/A GLU 23.A N ALA 19.A O no hydrogen 2.922 N/A GLN 24.A N LYS 20.A O no hydrogen 2.981 N/A LYS 25.A N THR 21.A O no hydrogen 3.052 N/A TYR 26.A N PHE 22.A O no hydrogen 3.004 N/A ASP 27.A N GLU 23.A O no hydrogen 2.832 N/A LYS 29.A N GLY 2.A O no hydrogen 2.917 N/A THR 30.A N GLU 23.A OE1 no hydrogen 3.016 N/A THR 30.A OG1 VAL 28.A O no hydrogen 2.864 N/A SER 31.A N LEU 4.A O no hydrogen 3.034 N/A ILE 33.A N ILE 6.A O no hydrogen 2.864 N/A ARG 34.A NE ALA 10.A O no hydrogen 2.760 N/A ASN 35.A N CYS 8.A O no hydrogen 2.917 N/A THR 40.A N GLY 36.A O no hydrogen 2.915 N/A THR 40.A OG1 SER 9.A OG no hydrogen 3.225 N/A THR 40.A OG1 ASN 35.A O no hydrogen 3.220 N/A THR 40.A OG1 GLY 36.A O no hydrogen 2.830 N/A PHE 41.A N SER 37.A O no hydrogen 2.912 N/A ALA 42.A N GLY 38.A O no hydrogen 3.048 N/A LYS 43.A N SER 39.A O no hydrogen 3.029 N/A LYS 43.A NZ GLU 47.A OE2 no hydrogen 3.017 N/A ILE 44.A N THR 40.A O no hydrogen 2.906 N/A GLU 45.A N PHE 41.A O no hydrogen 2.995 N/A ALA 46.A N ALA 42.A O no hydrogen 2.896 N/A GLU 47.A N LYS 43.A O no hydrogen 2.933 N/A GLU 47.A N ILE 44.A O no hydrogen 3.238 N/A LYS 48.A N GLU 45.A O no hydrogen 3.351 N/A LYS 48.A NZ GLU 45.A OE2 no hydrogen 3.336 N/A ASN 50.A N GLU 47.A O no hydrogen 2.924 N/A ASP 54.A N VAL 5.A O no hydrogen 2.816 N/A VAL 55.A N VAL 5.A O no hydrogen 3.417 N/A TRP 56.A N SER 234.A O no hydrogen 2.743 N/A TRP 56.A NE1 SER 9.A OG no hydrogen 2.987 N/A TYR 57.A N TYR 7.A O no hydrogen 2.837 N/A GLY 58.A N GLY 232.A O no hydrogen 2.841 N/A GLY 59.A N TYR 103.A OH no hydrogen 2.887 N/A LEU 61.A N LEU 230.A O no hydrogen 2.935 N/A GLN 64.A NE2 SER 234.A OG no hydrogen 2.639 N/A SER 65.A N LEU 61.A O no hydrogen 2.890 N/A GLN 66.A N ASP 62.A O no hydrogen 3.057 N/A ALA 67.A N PRO 63.A O no hydrogen 2.929 N/A GLY 68.A N GLN 64.A O no hydrogen 2.952 N/A GLU 69.A N SER 65.A O no hydrogen 3.096 N/A LEU 70.A N GLN 66.A O no hydrogen 3.237 N/A LEU 70.A N ALA 67.A O no hydrogen 3.118 N/A GLY 71.A N GLY 68.A O no hydrogen 3.246 N/A LEU 72.A N ALA 67.A O no hydrogen 3.158 N/A GLU 74.A N ILE 235.A O no hydrogen 2.875 N/A TYR 76.A N ASN 97.A O no hydrogen 3.051 N/A TYR 76.A OH ASP 250.A OD1 no hydrogen 2.639 N/A ARG 77.A NH1 ASP 82.A OD1 no hydrogen 2.914 N/A ARG 77.A NH2 ASP 82.A OD1 no hydrogen 2.707 N/A SER 78.A OG ASP 250.A OD1 no hydrogen 2.691 N/A ASN 80.A N SER 78.A OG no hydrogen 3.013 N/A ASN 80.A ND2 ASP 250.A O no hydrogen 2.918 N/A ILE 81.A N SER 78.A O no hydrogen 2.952 N/A ASP 82.A N PRO 79.A O no hydrogen 3.180 N/A GLN 83.A N ASN 80.A O no hydrogen 2.936 N/A ILE 84.A N ILE 81.A O no hydrogen 3.011 N/A LYS 87.A NZ ILE 291.A O no hydrogen 2.705 N/A PHE 88.A N MET 85.A O no hydrogen 2.774 N/A GLN 89.A N PRO 86.A O no hydrogen 3.153 N/A GLN 89.A NE2 ILE 84.A O no hydrogen 2.849 N/A LYS 93.A N SER 65.A OG no hydrogen 2.819 N/A LYS 93.A NZ GLU 296.A OE1 no hydrogen 3.088 N/A LYS 95.A NZ ASP 90.A O no hydrogen 2.834 N/A LYS 95.A NZ ALA 92.A O no hydrogen 2.844 N/A GLY 96.A N ASP 90.A OD2 no hydrogen 2.785 N/A ASN 97.A N ASP 90.A OD1 no hydrogen 2.895 N/A ASN 97.A ND2 GLN 89.A O no hydrogen 2.915 N/A ASN 97.A ND2 SER 99.A O no hydrogen 3.655 N/A ASN 97.A ND2 SER 100.A OG no hydrogen 3.107 N/A SER 99.A OG SER 234.A OG no hydrogen 2.742 N/A SER 100.A N VAL 233.A O no hydrogen 2.961 N/A VAL 102.A N GLY 231.A O no hydrogen 2.853 N/A ILE 104.A N THR 270.A O no hydrogen 2.831 N/A GLY 105.A N GLU 229.A O no hydrogen 2.903 N/A LEU 107.A N GLY 227.A O no hydrogen 3.008 N/A GLY 108.A N GLY 202.A O no hydrogen 2.942 N/A PHE 109.A N VAL 220.A O no hydrogen 3.225 N/A ALA 110.A N GLY 200.A O no hydrogen 3.006 N/A VAL 111.A N GLU 218.A O no hydrogen 2.912 N/A ASN 112.A N THR 198.A O no hydrogen 2.817 N/A ASN 112.A ND2 ALA 192.A O no hydrogen 2.868 N/A THR 113.A N PRO 216.A O no hydrogen 2.961 N/A THR 113.A OG1 PRO 216.A O no hydrogen 3.437 N/A ARG 115.A N ASN 112.A OD1 no hydrogen 2.904 N/A ARG 115.A NE GLU 139.A OE1 no hydrogen 2.922 N/A ARG 115.A NH2 GLU 139.A OE2 no hydrogen 2.987 N/A LEU 116.A N ASN 112.A O no hydrogen 2.915 N/A LYS 117.A N THR 113.A O no hydrogen 3.091 N/A LYS 118.A N ARG 115.A O no hydrogen 2.879 N/A LEU 119.A N ARG 115.A O no hydrogen 3.297 N/A LEU 119.A N LEU 116.A O no hydrogen 3.052 N/A GLN 126.A N ASP 130.A OD2 no hydrogen 2.899 N/A CYS 127.A N ASP 130.A OD2 no hydrogen 2.999 N/A CYS 127.A SG.B GLU 224.A OE2 no hydrogen 3.321 N/A TRP 128.A N GLU 224.A OE1 no hydrogen 2.794 N/A TRP 128.A NE1 GLY 225.A O no hydrogen 3.017 N/A ASN 129.A N GLU 224.A OE2 no hydrogen 2.962 N/A ASN 129.A ND2 GLU 224.A OE2 no hydrogen 3.197 N/A ASP 130.A N CYS 127.A O no hydrogen 3.140 N/A LEU 131.A N TRP 128.A O no hydrogen 3.041 N/A THR 132.A OG1 ASN 129.A O no hydrogen 3.038 N/A ASP 133.A N ASP 130.A O no hydrogen 3.253 N/A LYS 135.A N ASP 133.A OD1 no hydrogen 2.868 N/A LYS 135.A NZ GLY 120.A O no hydrogen 3.305 N/A LEU 136.A N ASP 133.A O no hydrogen 2.939 N/A LYS 137.A N PRO 134.A O no hydrogen 3.218 N/A LYS 137.A NZ PRO 176.A O no hydrogen 3.141 N/A GLU 139.A N LEU 136.A O no hydrogen 2.984 N/A ILE 140.A N ASN 177.A O no hydrogen 3.213 N/A GLN 141.A N VAL 199.A O no hydrogen 2.895 N/A GLN 141.A NE2 SER 179.A OG no hydrogen 3.183 N/A ASP 144.A N THR 182.A O no hydrogen 2.840 N/A GLN 146.A N ASP 144.A OD1 no hydrogen 2.935 N/A GLN 146.A NE2 ASP 144.A OD1 no hydrogen 3.531 N/A GLN 146.A NE2 ASP 144.A OD2 no hydrogen 3.452 N/A SER 147.A N ASP 144.A O no hydrogen 2.981 N/A SER 147.A OG ASP 144.A O no hydrogen 3.419 N/A SER 147.A OG LYS 183.A O no hydrogen 2.815 N/A SER 148.A N ASP 144.A O no hydrogen 2.958 N/A THR 150.A N SER 148.A OG no hydrogen 3.121 N/A ALA 151.A N SER 148.A OG no hydrogen 3.394 N/A TYR 152.A N SER 148.A O no hydrogen 3.275 N/A TYR 152.A OH TYR 298.A O no hydrogen 2.626 N/A THR 153.A N GLY 149.A O no hydrogen 2.885 N/A THR 153.A OG1 GLY 149.A O no hydrogen 3.242 N/A ALA 154.A N THR 150.A O no hydrogen 3.181 N/A ILE 155.A N ALA 151.A O no hydrogen 3.054 N/A ALA 156.A N TYR 152.A O no hydrogen 2.918 N/A THR 157.A N THR 153.A O no hydrogen 2.878 N/A THR 157.A OG1 THR 153.A O no hydrogen 2.771 N/A PHE 158.A N ALA 154.A O no hydrogen 2.941 N/A ALA 159.A N ILE 155.A O no hydrogen 2.979 N/A GLN 160.A N ALA 156.A O no hydrogen 3.028 N/A GLN 160.A NE2 ALA 156.A O no hydrogen 3.014 N/A LEU 161.A N THR 157.A O no hydrogen 2.858 N/A TRP 162.A N PHE 158.A O no hydrogen 2.965 N/A GLY 163.A N ALA 159.A O no hydrogen 2.930 N/A ALA 167.A N GLY 163.A O no hydrogen 2.993 N/A PHE 168.A N GLU 164.A O no hydrogen 3.057 N/A ASP 169.A N ASP 165.A O no hydrogen 3.014 N/A TYR 170.A N LYS 166.A O no hydrogen 2.926 N/A TYR 170.A OH TRP 128.A O no hydrogen 2.780 N/A PHE 171.A N ALA 167.A O no hydrogen 2.857 N/A LYS 172.A N PHE 168.A O no hydrogen 2.958 N/A LYS 172.A NZ ASP 169.A OD1 no hydrogen 3.545 N/A HIS 173.A N ASP 169.A O no hydrogen 3.076 N/A HIS 173.A ND1 ASP 169.A O no hydrogen 2.888 N/A LEU 174.A N TYR 170.A O no hydrogen 2.845 N/A HIS 175.A N PHE 171.A O no hydrogen 2.882 N/A HIS 175.A ND1 TYR 181.A OH no hydrogen 2.720 N/A ASN 177.A N LEU 174.A O no hydrogen 2.897 N/A ASN 177.A ND2 LEU 131.A O no hydrogen 2.833 N/A ASN 177.A ND2 ASP 133.A O no hydrogen 2.938 N/A ILE 178.A N HIS 175.A O no hydrogen 3.030 N/A SER 179.A N ILE 140.A O no hydrogen 2.976 N/A SER 179.A OG ILE 140.A O no hydrogen 3.555 N/A GLN 180.A NE2 TYR 181.A O no hydrogen 3.153 N/A TYR 181.A OH HIS 175.A ND1 no hydrogen 2.720 N/A THR 182.A N ILE 142.A O no hydrogen 3.081 N/A THR 182.A OG1 SER 184.A O no hydrogen 2.850 N/A ILE 186.A N SER 184.A OG no hydrogen 3.414 N/A THR 187.A N SER 184.A O no hydrogen 3.365 N/A THR 187.A OG1 SER 184.A O no hydrogen 3.560 N/A ALA 189.A N ILE 186.A O no hydrogen 2.912 N/A ARG 190.A N ILE 186.A O no hydrogen 3.471 N/A ARG 190.A NE GLU 210.A OE2 no hydrogen 2.973 N/A ASN 191.A N THR 187.A O no hydrogen 2.863 N/A ASN 191.A ND2 GLN 141.A OE1 no hydrogen 2.677 N/A ALA 192.A N PRO 188.A O no hydrogen 2.827 N/A ALA 193.A N ALA 189.A O no hydrogen 3.001 N/A ARG 194.A N ARG 190.A O no hydrogen 3.156 N/A ARG 194.A N ASN 191.A O no hydrogen 3.211 N/A GLY 195.A N ALA 192.A O no hydrogen 3.255 N/A GLU 196.A N ASN 191.A O no hydrogen 2.928 N/A THR 198.A N GLU 139.A O no hydrogen 3.048 N/A THR 198.A OG1 GLU 139.A OE1 no hydrogen 2.608 N/A VAL 199.A N GLU 139.A O no hydrogen 2.943 N/A GLY 200.A N ALA 110.A O no hydrogen 3.049 N/A ILE 201.A N GLN 141.A O no hydrogen 2.971 N/A GLY 202.A N GLY 108.A O no hydrogen 3.018 N/A LEU 204.A N ILE 106.A O no hydrogen 2.853 N/A ASP 206.A N PHE 203.A O no hydrogen 3.051 N/A ALA 208.A N LEU 204.A O no hydrogen 2.893 N/A LEU 209.A N HIS 205.A O no hydrogen 3.215 N/A GLU 210.A N ASP 206.A O no hydrogen 3.400 N/A LYS 211.A N TYR 207.A O no hydrogen 2.873 N/A LYS 211.A NZ LEU 217.A O no hydrogen 2.820 N/A GLU 212.A N ALA 208.A O no hydrogen 2.831 N/A GLN 213.A N LEU 209.A O no hydrogen 3.124 N/A GLN 213.A N GLU 210.A O no hydrogen 3.223 N/A GLY 214.A N LYS 211.A O no hydrogen 2.997 N/A ALA 215.A N GLU 210.A O no hydrogen 3.045 N/A LEU 217.A N ALA 215.A O no hydrogen 2.896 N/A GLU 218.A N VAL 111.A O no hydrogen 2.896 N/A VAL 220.A N PHE 109.A O no hydrogen 2.831 N/A CYS 223.A N GLN 126.A O no hydrogen 3.010 N/A CYS 223.A SG.B GLN 126.A O no hydrogen 3.255 N/A GLU 224.A N GLU 224.A OE1 no hydrogen 2.859 N/A GLY 225.A N PRO 222.A O no hydrogen 3.103 N/A THR 226.A N LYS 289.A O no hydrogen 3.044 N/A THR 226.A OG1 LEU 107.A O no hydrogen 2.680 N/A GLU 229.A N GLY 105.A O no hydrogen 2.930 N/A GLY 231.A N TYR 103.A O no hydrogen 2.856 N/A GLY 232.A N GLY 59.A O no hydrogen 3.045 N/A VAL 233.A N SER 100.A O no hydrogen 2.890 N/A SER 234.A N TRP 56.A O no hydrogen 2.962 N/A SER 234.A OG LEU 98.A O no hydrogen 3.378 N/A SER 234.A OG SER 99.A OG no hydrogen 2.742 N/A LEU 236.A N ASP 54.A O no hydrogen 2.938 N/A LYS 237.A N LEU 72.A O no hydrogen 2.881 N/A ALA 239.A N LEU 236.A O no hydrogen 3.153 N/A ASN 241.A N ASP 54.A OD1 no hydrogen 2.772 N/A ASN 241.A ND2 ASP 54.A OD1 no hydrogen 3.519 N/A ASN 241.A ND2 ASP 54.A OD2 no hydrogen 2.910 N/A ASN 244.A ND2 LYS 1.A O no hydrogen 3.039 N/A ASN 244.A ND2 ARG 3.A O no hydrogen 2.986 N/A ALA 245.A N ASN 241.A O no hydrogen 2.926 N/A LYS 246.A N LEU 242.A O no hydrogen 3.019 N/A LEU 247.A N ASP 243.A O no hydrogen 3.168 N/A PHE 248.A N ASN 244.A O no hydrogen 2.895 N/A VAL 249.A N ALA 245.A O no hydrogen 2.923 N/A ASP 250.A N LYS 246.A O no hydrogen 2.964 N/A PHE 251.A N LEU 247.A O no hydrogen 2.923 N/A ALA 252.A N PHE 248.A O no hydrogen 2.776 N/A LEU 253.A N VAL 249.A O no hydrogen 3.061 N/A LEU 253.A N ASP 250.A O no hydrogen 3.166 N/A SER 254.A N PHE 251.A O no hydrogen 3.046 N/A SER 254.A OG PHE 251.A O no hydrogen 2.634 N/A LYS 255.A NZ GLU 259.A OE2 no hydrogen 2.705 N/A LYS 255.A NZ THR 275.A O no hydrogen 2.761 N/A GLY 257.A N SER 254.A OG no hydrogen 2.903 N/A GLN 258.A N SER 254.A O no hydrogen 2.974 N/A GLN 258.A NE2 ALA 252.A O no hydrogen 3.240 N/A GLN 258.A NE2 THR 272.A OG1 no hydrogen 3.193 N/A GLU 259.A N LYS 255.A O no hydrogen 2.961 N/A THR 260.A N GLU 256.A O no hydrogen 3.049 N/A THR 260.A OG1 ASN 17.A OD1 no hydrogen 2.854 N/A ALA 261.A N GLN 258.A O no hydrogen 3.087 N/A TRP 262.A N GLU 259.A O no hydrogen 3.194 N/A TRP 262.A NE1 GLU 277.A O no hydrogen 2.854 N/A LYS 263.A N GLU 259.A O no hydrogen 2.899 N/A LYS 264.A N THR 260.A O no hydrogen 2.881 N/A GLY 265.A N THR 260.A O no hydrogen 2.909 N/A ALA 267.A N ALA 261.A O no hydrogen 2.945 N/A GLN 269.A N GLN 269.A OE1 no hydrogen 2.918 N/A THR 270.A N ILE 104.A O no hydrogen 2.987 N/A LEU 271.A N GLN 278.A OE1 no hydrogen 2.790 N/A THR 272.A OG1 ALA 101.A O no hydrogen 2.656 N/A ASN 273.A N GLN 258.A OE1 no hydrogen 2.823 N/A ASN 273.A ND2 GLN 83.A OE1 no hydrogen 2.886 N/A ASN 273.A ND2 LEU 253.A O no hydrogen 2.822 N/A THR 274.A N GLN 83.A O no hydrogen 2.826 N/A THR 274.A OG1 GLN 83.A O no hydrogen 2.908 N/A THR 275.A N ASN 273.A OD1 no hydrogen 2.740 N/A THR 275.A OG1 ASN 273.A OD1 no hydrogen 2.714 N/A ALA 276.A N ASN 273.A O no hydrogen 3.103 N/A GLU 277.A N GLU 259.A OE2 no hydrogen 2.859 N/A GLN 278.A NE2 LEU 271.A O no hydrogen 3.000 N/A LEU 281.A N SER 279.A OG no hydrogen 3.077 N/A ALA 282.A N SER 279.A O no hydrogen 2.951 N/A PHE 283.A N THR 270.A OG1 no hydrogen 3.246 N/A THR 286.A OG1 ASP 284.A OD1 no hydrogen 3.154 N/A LYS 287.A N ASP 284.A O no hydrogen 2.931 N/A LYS 287.A NZ ASP 284.A OD2 no hydrogen 3.361 N/A LEU 288.A N LEU 285.A O no hydrogen 3.249 N/A LYS 289.A NZ CYS 223.A O no hydrogen 2.708 N/A ILE 291.A N THR 226.A O no hydrogen 2.941 N/A TYR 293.A N TYR 228.A OH no hydrogen 3.019 N/A ASP 294.A N GLN 160.A OE1 no hydrogen 2.814 N/A LYS 297.A N ASP 294.A OD1 no hydrogen 2.984 N/A TYR 298.A N ASP 294.A O no hydrogen 3.124 N/A GLY 299.A N PHE 295.A O no hydrogen 2.809 N/A ARG 304.A N ALA 300.A O no hydrogen 2.965 N/A LYS 305.A N SER 301.A O no hydrogen 2.929 N/A ARG 306.A N ASP 302.A O no hydrogen 2.972 N/A ARG 306.A NE GLU 303.A OE1 no hydrogen 2.877 N/A ARG 306.A NH1 GLU 164.A OE2 no hydrogen 2.952 N/A ARG 306.A NH2 GLU 164.A OE1 no hydrogen 2.819 N/A ARG 306.A NH2 GLU 303.A OE1 no hydrogen 3.304 N/A ARG 306.A NH2 GLU 303.A OE2 no hydrogen 2.776 N/A LEU 307.A N GLU 303.A O no hydrogen 2.951 N/A ILE 308.A N ARG 304.A O no hydrogen 3.021 N/A ASN 309.A N LYS 305.A O no hydrogen 2.940 N/A LYS 310.A N ARG 306.A O no hydrogen 2.991 N/A LYS 310.A NZ GLU 164.A OE2 no hydrogen 2.584 N/A TRP 311.A N LEU 307.A O no hydrogen 2.970 N/A VAL 312.A N ILE 308.A O no hydrogen 2.894 N/A ASP 313.A N ASN 309.A O no hydrogen 2.874 N/A GLU 314.A N LYS 310.A O no hydrogen 2.912 N/A ILE 315.A N TRP 311.A O no hydrogen 2.753 N/A LYS 316.A N TRP 311.A O no hydrogen 3.184 N/A LEU 317.A N VAL 312.A O no hydrogen 2.800 N/A