Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3n54_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 6.A OG LEU 28.A O no hydrogen 2.896 N/A GLY 10.A N GLN 26.A O no hydrogen 2.917 N/A ALA 12.A N THR 24.A O no hydrogen 2.882 N/A ASP 14.A N LYS 22.A O no hydrogen 2.950 N/A THR 16.A N GLN 20.A O no hydrogen 2.902 N/A THR 16.A OG1 ASP 18.A OD2 no hydrogen 2.632 N/A THR 16.A OG1 GLN 20.A O no hydrogen 3.383 N/A HIS 19.A N THR 16.A O no hydrogen 3.015 N/A TYR 21.A N GLU 49.A O no hydrogen 2.583 N/A LYS 22.A N ASP 14.A O no hydrogen 2.910 N/A LEU 23.A N ILE 47.A O no hydrogen 2.866 N/A THR 24.A N ALA 12.A O no hydrogen 2.852 N/A TYR 25.A N LYS 45.A O no hydrogen 2.856 N/A GLN 26.A N GLY 10.A O no hydrogen 2.783 N/A ASN 27.A N SER 42.A O no hydrogen 3.095 N/A LEU 28.A N ALA 8.A O no hydrogen 2.824 N/A LEU 29.A N ASN 39.A O no hydrogen 2.967 N/A VAL 38.A N PRO 35.A O no hydrogen 3.396 N/A ASN 39.A N GLU 36.A O no hydrogen 3.018 N/A THR 41.A N ASN 27.A O no hydrogen 2.872 N/A THR 41.A OG1 ASN 27.A O no hydrogen 3.330 N/A SER 42.A OG ASN 27.A OD1 no hydrogen 3.108 N/A SER 42.A OG HIS 43.A O no hydrogen 3.402 N/A GLY 44.A N TYR 25.A O no hydrogen 2.693 N/A ILE 47.A N LEU 23.A O no hydrogen 2.775 N/A GLU 49.A N TYR 21.A O no hydrogen 2.960 N/A SER 52.A OG SER 55.A OG no hydrogen 3.397 N/A SER 55.A N SER 52.A OG no hydrogen 3.053 N/A SER 55.A OG SER 52.A O no hydrogen 2.613 N/A SER 55.A OG SER 52.A OG no hydrogen 3.397 N/A ILE 56.A N SER 52.A O no hydrogen 3.113 N/A LYS 57.A N ASP 53.A O no hydrogen 3.007 N/A ASP 58.A N VAL 54.A O no hydrogen 2.719 N/A LEU 66.A N GLU 93.A O no hydrogen 2.727 N/A ILE 69.A N TYR 99.A O no hydrogen 2.818 N/A LEU 71.A N MET 101.A O no hydrogen 2.845 N/A GLU 73.A N GLY 105.A O no hydrogen 2.962 N/A MET 76.A N GLY 72.A O no hydrogen 3.071 N/A ARG 77.A N GLU 73.A O no hydrogen 2.923 N/A ARG 77.A NE GLU 73.A OE2 no hydrogen 2.864 N/A ARG 77.A NH1 GLU 73.A OE2 no hydrogen 3.047 N/A ASN 78.A N LYS 74.A O no hydrogen 3.087 N/A ASN 78.A N LEU 75.A O no hydrogen 3.268 N/A GLN 79.A N LEU 75.A O no hydrogen 2.886 N/A VAL 81.A N ASN 162.A O no hydrogen 3.150 N/A GLN 83.A N ASN 80.A OD1 no hydrogen 3.128 N/A VAL 84.A N ASN 80.A O no hydrogen 2.989 N/A LEU 85.A N VAL 81.A O no hydrogen 2.963 N/A ASN 86.A N ASP 82.A O no hydrogen 2.997 N/A HIS 87.A N GLN 83.A O no hydrogen 2.887 N/A PHE 88.A N VAL 84.A O no hydrogen 2.960 N/A ILE 89.A N LEU 85.A O no hydrogen 2.855 N/A ARG 90.A N GLU 93.A OE1 no hydrogen 2.816 N/A ARG 90.A NE ASP 92.A OD1 no hydrogen 3.046 N/A ARG 90.A NH1 ASP 92.A OD1 no hydrogen 3.330 N/A ARG 90.A NH1 ASP 92.A OD2 no hydrogen 2.644 N/A GLU 93.A N ARG 90.A O no hydrogen 2.976 N/A LEU 94.A N ASP 91.A O no hydrogen 3.107 N/A ARG 95.A N SER 98.A OG no hydrogen 2.997 N/A SER 98.A N ARG 95.A O no hydrogen 3.003 N/A SER 98.A OG LEU 66.A O no hydrogen 2.674 N/A SER 98.A OG ARG 95.A O no hydrogen 3.220 N/A TYR 99.A N LYS 67.A O no hydrogen 2.833 N/A LEU 100.A N LEU 122.A O no hydrogen 2.922 N/A MET 101.A N ILE 69.A O no hydrogen 2.898 N/A ALA 102.A N GLN 140.A O no hydrogen 2.937 N/A ALA 103.A N LEU 71.A O no hydrogen 2.849 N/A ARG 104.A N VAL 142.A O no hydrogen 3.001 N/A ARG 104.A NE ASP 152.A O no hydrogen 2.960 N/A ARG 104.A NH2 ASP 152.A O no hydrogen 3.033 N/A GLY 105.A N GLU 73.A OE1 no hydrogen 2.894 N/A ASP 109.A N ASN 106.A OD1 no hydrogen 2.805 N/A VAL 110.A N ALA 107.A O no hydrogen 3.096 N/A LEU 122.A N MET 119.A O no hydrogen 3.258 N/A ARG 123.A NH1 SER 97.A O no hydrogen 3.003 N/A ILE 124.A N SER 98.A O no hydrogen 2.873 N/A GLY 125.A N ARG 96.A O no hydrogen 3.211 N/A ARG 126.A NH2 TYR 130.A OH no hydrogen 2.870 N/A ALA 127.A N ARG 123.A O no hydrogen 2.974 N/A SER 128.A N ILE 124.A O no hydrogen 3.011 N/A SER 128.A OG ASP 82.A OD1 no hydrogen 3.358 N/A SER 128.A OG GLN 132.A OE1 no hydrogen 2.718 N/A VAL 129.A N GLY 125.A O no hydrogen 3.357 N/A TYR 130.A N ARG 126.A O no hydrogen 2.841 N/A SER 131.A N ALA 127.A O no hydrogen 3.059 N/A SER 131.A OG ALA 127.A O no hydrogen 3.134 N/A SER 131.A OG ASN 162.A OD1 no hydrogen 3.003 N/A GLN 132.A N SER 128.A O no hydrogen 3.049 N/A ASN 133.A N VAL 129.A O no hydrogen 3.085 N/A ASN 133.A N TYR 130.A O no hydrogen 3.334 N/A GLY 134.A N SER 131.A O no hydrogen 3.296 N/A TYR 135.A N TYR 130.A O no hydrogen 2.998 N/A TYR 135.A OH ASP 275.A OD1 no hydrogen 3.140 N/A SER 136.A OG THR 268.A OG1 no hydrogen 2.603 N/A TYR 137.A N ILE 157.A O no hydrogen 3.024 N/A ILE 139.A N GLY 155.A O no hydrogen 3.094 N/A GLN 140.A N MET 119.A O no hydrogen 3.110 N/A GLN 140.A NE2 ALA 141.A O no hydrogen 2.909 N/A ALA 141.A N GLY 153.A O no hydrogen 2.876 N/A VAL 142.A N ALA 102.A O no hydrogen 2.763 N/A LYS 143.A N LYS 150.A O no hydrogen 2.880 N/A GLU 145.A N LYS 148.A O no hydrogen 3.107 N/A ASP 152.A N ALA 141.A O no hydrogen 2.917 N/A ALA 154.A N LEU 168.A O no hydrogen 2.982 N/A GLY 155.A N ILE 139.A O no hydrogen 2.747 N/A ILE 156.A N GLY 166.A O no hydrogen 2.783 N/A ILE 157.A N TYR 137.A O no hydrogen 2.903 N/A LYS 158.A N LYS 163.A O no hydrogen 2.863 N/A LYS 158.A NZ TYR 266.A O no hydrogen 3.358 N/A ARG 159.A N SER 136.A OG no hydrogen 2.794 N/A ARG 159.A NE GLY 134.A O no hydrogen 3.033 N/A ARG 159.A NH1 ASP 269.A O no hydrogen 3.486 N/A ARG 159.A NH2 GLY 134.A O no hydrogen 3.444 N/A SER 161.A N ARG 159.A O no hydrogen 2.850 N/A SER 161.A OG LYS 158.A O no hydrogen 3.526 N/A ASN 162.A N LYS 158.A O no hydrogen 2.839 N/A ASN 162.A ND2 ASN 80.A OD1 no hydrogen 2.922 N/A ASN 162.A ND2 SER 131.A OG no hydrogen 2.940 N/A LYS 163.A N SER 161.A OG no hydrogen 3.225 N/A LYS 163.A NZ ASN 78.A O no hydrogen 3.444 N/A LEU 164.A N MET 76.A O no hydrogen 2.814 N/A VAL 165.A N ILE 156.A O no hydrogen 2.850 N/A LEU 168.A N ALA 154.A O no hydrogen 2.758 N/A SER 169.A N GLU 172.A OE2 no hydrogen 2.940 N/A GLU 172.A N SER 169.A OG no hydrogen 3.126 N/A THR 173.A N SER 169.A O no hydrogen 2.796 N/A THR 173.A OG1 SER 169.A O no hydrogen 2.775 N/A GLN 174.A N ALA 170.A O no hydrogen 2.951 N/A GLN 174.A NE2 VAL 187.A O no hydrogen 3.663 N/A THR 175.A N ASP 171.A O no hydrogen 2.905 N/A THR 175.A OG1 ASP 171.A O no hydrogen 3.028 N/A LEU 176.A N GLU 172.A O no hydrogen 2.921 N/A SER 177.A N THR 173.A O no hydrogen 2.863 N/A SER 177.A OG THR 182.A OG1 no hydrogen 2.893 N/A TRP 178.A N GLN 174.A O no hydrogen 2.828 N/A TRP 178.A NE1 THR 225.A OG1 no hydrogen 3.106 N/A VAL 179.A N THR 175.A O no hydrogen 3.062 N/A MET 180.A N LEU 176.A O no hydrogen 3.019 N/A GLY 181.A N TRP 178.A O no hydrogen 3.305 N/A THR 182.A N SER 177.A O no hydrogen 3.020 N/A THR 182.A OG1 SER 177.A O no hydrogen 3.280 N/A THR 182.A OG1 SER 177.A OG no hydrogen 2.893 N/A MET 188.A N PHE 199.A O no hydrogen 2.926 N/A THR 190.A N ILE 197.A O no hydrogen 2.799 N/A THR 191.A N THR 190.A OG1 no hydrogen 2.720 N/A ASP 192.A N HIS 195.A O no hydrogen 2.937 N/A HIS 195.A N ASP 192.A O no hydrogen 3.113 N/A ILE 197.A N THR 190.A O no hydrogen 2.868 N/A THR 198.A N THR 230.A O no hydrogen 3.132 N/A PHE 199.A N MET 188.A O no hydrogen 2.991 N/A GLU 200.A N ILE 228.A O no hydrogen 2.732 N/A ILE 201.A N GLY 186.A O no hydrogen 2.847 N/A LYS 202.A N LYS 226.A O no hydrogen 2.831 N/A LYS 203.A N LYS 226.A O no hydrogen 3.183 N/A SER 204.A OG LYS 224.A O no hydrogen 3.467 N/A SER 204.A OG THR 225.A OG1 no hydrogen 2.745 N/A LYS 205.A N LYS 224.A O no hydrogen 2.759 N/A THR 206.A OG1 VAL 179.A O no hydrogen 2.832 N/A LYS 207.A N SER 222.A O no hydrogen 2.947 N/A LYS 209.A N HIS 220.A O no hydrogen 2.781 N/A VAL 211.A N VAL 218.A O no hydrogen 2.880 N/A GLU 213.A N LYS 216.A O no hydrogen 3.056 N/A VAL 218.A N VAL 211.A O no hydrogen 2.757 N/A PHE 219.A N ASP 300.A O no hydrogen 2.941 N/A HIS 220.A N LYS 209.A O no hydrogen 2.908 N/A ILE 221.A N LYS 302.A O no hydrogen 2.936 N/A SER 222.A N LYS 207.A O no hydrogen 2.786 N/A VAL 223.A N ASP 304.A O no hydrogen 2.830 N/A LYS 224.A N LYS 205.A O no hydrogen 2.903 N/A THR 225.A N SER 306.A O no hydrogen 3.052 N/A THR 225.A OG1 SER 204.A OG no hydrogen 2.745 N/A LYS 226.A N LYS 203.A O no hydrogen 2.724 N/A GLY 227.A N LYS 308.A O no hydrogen 3.009 N/A ILE 228.A N GLU 200.A O no hydrogen 2.732 N/A THR 230.A N THR 198.A O no hydrogen 2.944 N/A ASP 232.A N GLU 231.A OE1 no hydrogen 3.140 N/A SER 236.A OG LYS 237.A O no hydrogen 2.622 N/A LEU 240.A N SER 236.A OG no hydrogen 2.635 N/A ARG 242.A N SER 238.A O no hydrogen 2.759 N/A ARG 242.A NH1 ASP 192.A OD1 no hydrogen 2.741 N/A ARG 242.A NH2 ASP 192.A OD1 no hydrogen 3.516 N/A LEU 243.A N TYR 239.A O no hydrogen 3.076 N/A GLU 244.A N LEU 240.A O no hydrogen 2.806 N/A ASN 245.A N HIS 241.A O no hydrogen 3.031 N/A ILE 246.A N ARG 242.A O no hydrogen 3.181 N/A PHE 247.A N LEU 243.A O no hydrogen 3.056 N/A GLU 248.A N GLU 244.A O no hydrogen 2.858 N/A LYS 249.A N ASN 245.A O no hydrogen 2.923 N/A LYS 250.A N ILE 246.A O no hydrogen 3.140 N/A LYS 250.A NZ ASP 254.A OD2 no hydrogen 2.797 N/A LEU 251.A N PHE 247.A O no hydrogen 3.107 N/A GLU 252.A N GLU 248.A O no hydrogen 3.102 N/A ARG 253.A N LYS 249.A O no hydrogen 3.002 N/A ASP 254.A N LYS 250.A O no hydrogen 2.901 N/A VAL 255.A N LEU 251.A O no hydrogen 2.865 N/A LYS 256.A N GLU 252.A O no hydrogen 3.050 N/A GLN 257.A N ARG 253.A O no hydrogen 3.255 N/A VAL 258.A N ASP 254.A O no hydrogen 3.233 N/A MET 259.A N VAL 255.A O no hydrogen 2.817 N/A ASP 260.A N LYS 256.A O no hydrogen 3.027 N/A LYS 261.A N GLN 257.A O no hydrogen 3.139 N/A LYS 261.A NZ GLU 265.A OE2 no hydrogen 2.860 N/A LEU 262.A N VAL 258.A O no hydrogen 2.953 N/A GLN 263.A N MET 259.A O no hydrogen 2.847 N/A GLN 263.A NE2 PHE 296.A O no hydrogen 2.775 N/A GLN 263.A NE2 THR 299.A O no hydrogen 2.726 N/A HIS 264.A N ASP 260.A O no hydrogen 2.861 N/A GLU 265.A N LYS 261.A O no hydrogen 2.948 N/A TYR 266.A N LYS 261.A O no hydrogen 2.781 N/A THR 268.A N LEU 262.A O no hydrogen 3.016 N/A THR 268.A OG1 SER 136.A OG no hydrogen 2.603 N/A THR 268.A OG1 ASP 293.A OD1 no hydrogen 3.244 N/A THR 268.A OG1 ASP 293.A OD2 no hydrogen 2.856 N/A ASP 269.A N ASP 293.A OD1 no hydrogen 3.349 N/A VAL 271.A N ASP 269.A OD1 no hydrogen 2.998 N/A LEU 273.A N ASP 269.A OD1 no hydrogen 3.272 N/A SER 274.A N ASP 269.A OD2 no hydrogen 3.051 N/A ASP 275.A N PHE 272.A O no hydrogen 3.118 N/A HIS 276.A N LEU 273.A O no hydrogen 3.028 N/A ILE 277.A N SER 274.A O no hydrogen 3.251 N/A ARG 278.A N SER 274.A O no hydrogen 3.139 N/A ILE 279.A N ASP 275.A O no hydrogen 3.194 N/A GLN 280.A N HIS 276.A O no hydrogen 3.133 N/A GLN 280.A NE2 ILE 208.A O no hydrogen 3.698 N/A HIS 281.A N ILE 277.A O no hydrogen 2.790 N/A HIS 281.A NE2 PRO 210.A O no hydrogen 3.050 N/A TYR 284.A OH GLY 215.A O no hydrogen 2.640 N/A TRP 285.A N HIS 281.A O no hydrogen 2.905 N/A ASN 286.A N PRO 282.A O no hydrogen 2.886 N/A LYS 287.A N TYR 284.A O no hydrogen 3.065 N/A VAL 288.A N TYR 284.A O no hydrogen 3.181 N/A LYS 289.A N TRP 285.A O no hydrogen 2.810 N/A HIS 291.A N VAL 288.A O no hydrogen 2.671 N/A TRP 292.A NE1 ASP 269.A OD2 no hydrogen 2.835 N/A ILE 295.A N HIS 291.A O no hydrogen 3.355 N/A PHE 296.A N TRP 292.A O no hydrogen 2.699 N/A SER 297.A N ASP 293.A O no hydrogen 2.920 N/A SER 297.A OG GLN 263.A O no hydrogen 2.799 N/A SER 297.A OG ASP 293.A O no hydrogen 3.207 N/A GLU 298.A N ILE 295.A O no hydrogen 3.085 N/A THR 299.A N PHE 296.A O no hydrogen 3.103 N/A THR 299.A OG1 ILE 295.A O no hydrogen 2.605 N/A THR 299.A OG1 PHE 296.A O no hydrogen 3.437 N/A ASP 300.A N PRO 217.A O no hydrogen 3.350 N/A LYS 302.A N PHE 219.A O no hydrogen 2.962 N/A ASP 304.A N ILE 221.A O no hydrogen 2.840 N/A SER 306.A N VAL 223.A O no hydrogen 2.787 N/A PHE 307.A N GLU 248.A OE2 no hydrogen 2.752 N/A LYS 308.A N THR 225.A O no hydrogen 2.967 N/A ILE 309.A N GLU 244.A OE2 no hydrogen 3.165 N/A ILE 310.A N GLY 227.A O no hydrogen 3.116 N/A