Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ljw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N GLN 4.A OE1 no hydrogen 2.858 N/A ALA 5.A N GLY 1.A O no hydrogen 3.289 N/A LYS 6.A N GLU 2.A O no hydrogen 2.954 N/A ASN 7.A N GLY 3.A O no hydrogen 2.770 N/A LEU 9.A N GLU 105.A O no hydrogen 2.915 N/A PHE 10.A N SER 25.A OG no hydrogen 2.892 N/A LEU 11.A N CYS 107.A O no hydrogen 3.034 N/A GLY 12.A N MET 23.A O no hydrogen 2.877 N/A VAL 13.A N VAL 109.A O no hydrogen 2.841 N/A ASP 14.A N ALA 21.A O no hydrogen 2.783 N/A LEU 15.A N GLY 111.A O no hydrogen 2.862 N/A GLY 16.A N HIS 19.A O no hydrogen 3.014 N/A SER 18.A OG HIS 19.A ND1 no hydrogen 2.886 N/A HIS 19.A ND1 SER 18.A OG no hydrogen 2.886 N/A THR 20.A N LEU 32.A O no hydrogen 2.695 N/A THR 20.A OG1 SER 34.A OG no hydrogen 2.809 N/A ALA 21.A N ASP 14.A O no hydrogen 3.046 N/A VAL 22.A N PHE 30.A O no hydrogen 2.893 N/A MET 23.A N GLY 12.A O no hydrogen 3.026 N/A SER 24.A N LYS 28.A O no hydrogen 3.011 N/A SER 25.A N PHE 10.A O no hydrogen 2.904 N/A SER 25.A OG PHE 10.A O no hydrogen 3.388 N/A ARG 26.A N SER 24.A OG no hydrogen 3.231 N/A ARG 26.A NH1 ASP 104.A OD2 no hydrogen 2.733 N/A ARG 26.A NH2 ASP 104.A OD1 no hydrogen 2.825 N/A ARG 26.A NH2 ASP 104.A OD2 no hydrogen 3.395 N/A GLY 27.A N SER 24.A O no hydrogen 2.932 N/A LYS 28.A N SER 24.A OG no hydrogen 3.096 N/A LYS 28.A NZ GLU 99.A OE2 no hydrogen 3.097 N/A PHE 30.A N VAL 22.A O no hydrogen 2.969 N/A LEU 32.A N THR 20.A O no hydrogen 2.870 N/A LYS 33.A N ASP 56.A OD1 no hydrogen 3.053 N/A SER 34.A N SER 18.A O no hydrogen 2.918 N/A SER 34.A OG GLY 16.A O no hydrogen 2.743 N/A SER 34.A OG THR 20.A OG1 no hydrogen 2.809 N/A VAL 35.A N LYS 33.A O no hydrogen 2.887 N/A VAL 36.A N ARG 68.A O no hydrogen 2.890 N/A GLY 37.A N VAL 53.A O no hydrogen 2.760 N/A TYR 38.A N ASP 66.A O no hydrogen 2.860 N/A TYR 38.A OH HIS 89.A ND1 no hydrogen 2.778 N/A LYS 40.A NZ SER 63.A O no hydrogen 3.352 N/A GLY 44.A N ASP 41.A OD1 no hydrogen 2.767 N/A LEU 45.A N ASP 41.A O no hydrogen 3.104 N/A LYS 46.A N VAL 42.A O no hydrogen 3.059 N/A LEU 47.A N ILE 43.A O no hydrogen 2.762 N/A LEU 48.A N GLY 44.A O no hydrogen 2.828 N/A GLY 49.A N LEU 45.A O no hydrogen 3.047 N/A GLY 49.A N LYS 46.A O no hydrogen 3.263 N/A ARG 50.A NH2 GLU 57.A OE2 no hydrogen 3.243 N/A VAL 53.A N GLY 37.A O no hydrogen 2.941 N/A GLY 55.A N VAL 35.A O no hydrogen 2.904 N/A PHE 59.A N GLY 55.A O no hydrogen 3.171 N/A GLU 60.A N ASP 56.A O no hydrogen 2.826 N/A MET 61.A N GLU 57.A O no hydrogen 3.020 N/A ARG 62.A N PHE 59.A O no hydrogen 3.121 N/A ARG 62.A NH1 PHE 59.A O no hydrogen 2.907 N/A TYR 64.A N MET 61.A O no hydrogen 2.877 N/A LEU 65.A N ARG 62.A O no hydrogen 3.204 N/A ASP 66.A N TYR 38.A O no hydrogen 2.864 N/A ARG 68.A N VAL 36.A O no hydrogen 2.767 N/A ARG 68.A NE ASP 83.A OD1 no hydrogen 3.437 N/A ARG 68.A NH2 ASP 83.A OD1 no hydrogen 3.123 N/A GLN 72.A NE2 PRO 70.A O no hydrogen 3.032 N/A LEU 76.A N GLN 72.A OE1 no hydrogen 2.812 N/A SER 77.A OG VAL 75.A O no hydrogen 3.243 N/A ILE 79.A N ASN 120.A OD1 no hydrogen 2.840 N/A ASP 83.A N SER 80.A OG no hydrogen 2.913 N/A ILE 84.A N SER 80.A O no hydrogen 2.919 N/A GLU 85.A N ASP 81.A O no hydrogen 3.280 N/A VAL 86.A N ARG 82.A O no hydrogen 3.048 N/A ALA 87.A N ASP 83.A O no hydrogen 2.910 N/A ARG 88.A N ILE 84.A O no hydrogen 2.895 N/A ARG 88.A NE GLU 85.A OE1 no hydrogen 2.770 N/A ARG 88.A NH1 GLU 130.A OE1 no hydrogen 2.844 N/A ARG 88.A NH2 GLU 85.A OE2 no hydrogen 2.941 N/A ARG 88.A NH2 GLU 130.A OE1 no hydrogen 3.200 N/A HIS 89.A N GLU 85.A O no hydrogen 2.971 N/A HIS 89.A ND1 TYR 38.A OH no hydrogen 2.778 N/A LEU 90.A N VAL 86.A O no hydrogen 3.046 N/A LEU 91.A N ALA 87.A O no hydrogen 2.816 N/A THR 92.A N ARG 88.A O no hydrogen 2.745 N/A THR 92.A OG1 ARG 88.A O no hydrogen 2.690 N/A HIS 93.A N HIS 89.A O no hydrogen 2.989 N/A VAL 94.A N LEU 90.A O no hydrogen 3.004 N/A VAL 95.A N LEU 91.A O no hydrogen 2.935 N/A LYS 96.A N THR 92.A O no hydrogen 2.910 N/A SER 97.A N HIS 93.A O no hydrogen 2.935 N/A SER 97.A OG HIS 93.A O no hydrogen 2.749 N/A ALA 98.A N VAL 94.A O no hydrogen 3.156 N/A ALA 98.A N VAL 95.A O no hydrogen 2.995 N/A GLU 99.A N LYS 96.A O no hydrogen 2.936 N/A GLY 101.A N ASP 104.A OD2 no hydrogen 2.637 N/A ASP 104.A N GLY 101.A O no hydrogen 3.116 N/A GLU 105.A N ASN 7.A O no hydrogen 2.739 N/A ILE 106.A N HIS 133.A ND1 no hydrogen 3.007 N/A CYS 107.A N LEU 9.A O no hydrogen 2.860 N/A CYS 107.A SG GLU 105.A O no hydrogen 3.964 N/A CYS 107.A SG GLU 105.A OE2 no hydrogen 3.386 N/A ALA 108.A N THR 134.A O no hydrogen 2.821 N/A VAL 109.A N LEU 11.A O no hydrogen 2.991 N/A ILE 110.A N LEU 136.A O no hydrogen 2.808 N/A GLY 111.A N VAL 13.A O no hydrogen 2.718 N/A VAL 112.A N VAL 138.A O no hydrogen 2.878 N/A ARG 115.A NE THR 181.A OG1 no hydrogen 2.735 N/A ARG 115.A NH2 THR 181.A OG1 no hydrogen 3.360 N/A ALA 116.A N PRO 113.A O no hydrogen 3.072 N/A ASN 120.A N SER 117.A OG no hydrogen 2.923 N/A ASN 120.A ND2 SER 77.A O no hydrogen 2.819 N/A LYS 121.A N SER 117.A O no hydrogen 2.838 N/A ALA 122.A N ALA 118.A O no hydrogen 2.824 N/A LEU 123.A N ALA 119.A O no hydrogen 2.822 N/A LEU 124.A N ASN 120.A O no hydrogen 2.873 N/A LEU 125.A N LYS 121.A O no hydrogen 2.924 N/A LYS 126.A N ALA 122.A O no hydrogen 2.963 N/A LYS 126.A NZ GLU 130.A OE2 no hydrogen 2.798 N/A MET 127.A N LEU 123.A O no hydrogen 3.015 N/A ALA 128.A N LEU 124.A O no hydrogen 2.778 N/A GLN 129.A N LEU 125.A O no hydrogen 3.049 N/A GLU 130.A N MET 127.A O no hydrogen 2.870 N/A VAL 131.A N ALA 128.A O no hydrogen 2.865 N/A VAL 132.A N ALA 128.A O no hydrogen 2.846 N/A HIS 133.A N ILE 106.A O no hydrogen 3.009 N/A THR 134.A N ILE 106.A O no hydrogen 3.118 N/A ALA 135.A N GLN 129.A OE1 no hydrogen 3.015 N/A LEU 136.A N ALA 108.A O no hydrogen 2.922 N/A VAL 138.A N ILE 110.A O no hydrogen 2.932 N/A GLU 140.A N VAL 112.A O no hydrogen 2.859 N/A MET 143.A N SER 139.A O no hydrogen 3.125 N/A VAL 144.A N GLU 140.A O no hydrogen 2.897 N/A GLY 145.A N PRO 141.A O no hydrogen 2.805 N/A TYR 146.A N PHE 142.A O no hydrogen 2.736 N/A TYR 146.A OH GLU 329.A OE1 no hydrogen 2.644 N/A GLY 147.A N MET 143.A O no hydrogen 3.172 N/A LEU 148.A N GLY 145.A O no hydrogen 3.013 N/A ASP 149.A N TYR 146.A O no hydrogen 3.071 N/A LYS 150.A N GLY 145.A O no hydrogen 2.829 N/A LYS 150.A NZ ASN 280.A OD1 no hydrogen 2.704 N/A THR 154.A N LEU 169.A O no hydrogen 3.428 N/A THR 154.A OG1 ILE 152.A O no hydrogen 2.965 N/A ILE 155.A N ASN 280.A O no hydrogen 3.047 N/A ILE 156.A N CYS 167.A O no hydrogen 2.932 N/A VAL 157.A N VAL 282.A O no hydrogen 2.718 N/A ASP 158.A N ASP 165.A O no hydrogen 2.809 N/A ILE 159.A N ALA 284.A O no hydrogen 2.998 N/A GLY 160.A N THR 163.A O no hydrogen 3.026 N/A THR 163.A OG1 ASP 165.A OD1 no hydrogen 3.539 N/A THR 163.A OG1 ASP 165.A OD2 no hydrogen 2.853 N/A THR 164.A N LEU 182.A O no hydrogen 2.922 N/A THR 164.A OG1 LYS 184.A O no hydrogen 3.086 N/A ASP 165.A N ASP 158.A O no hydrogen 2.833 N/A ILE 166.A N VAL 180.A O no hydrogen 2.822 N/A CYS 167.A N ILE 156.A O no hydrogen 2.915 N/A CYS 167.A SG ALA 168.A O no hydrogen 3.616 N/A ALA 168.A N ASP 178.A O no hydrogen 2.846 N/A LEU 169.A N THR 154.A O no hydrogen 2.828 N/A LYS 170.A NZ ASP 178.A OD1 no hydrogen 2.783 N/A LYS 170.A NZ SER 268.A O no hydrogen 3.366 N/A LYS 170.A NZ SER 268.A OG no hydrogen 2.835 N/A THR 172.A OG1 VAL 173.A O no hydrogen 3.482 N/A GLY 175.A N ASP 178.A OD2 no hydrogen 2.894 N/A ASP 178.A N GLY 175.A O no hydrogen 3.097 N/A VAL 180.A N ILE 166.A O no hydrogen 2.886 N/A LEU 182.A N THR 164.A O no hydrogen 2.841 N/A LYS 184.A NZ ASP 257.A OD2 no hydrogen 3.164 N/A GLY 186.A N GLY 160.A O no hydrogen 2.858 N/A ASN 187.A N ALA 161.A O no hydrogen 2.852 N/A VAL 189.A N ALA 185.A O no hydrogen 2.978 N/A ASP 190.A N GLY 186.A O no hydrogen 2.956 N/A GLU 191.A N ASN 187.A O no hydrogen 3.063 N/A ARG 192.A N TYR 188.A O no hydrogen 2.960 N/A ARG 192.A NH1 TYR 188.A OH no hydrogen 2.935 N/A LEU 193.A N VAL 189.A O no hydrogen 2.806 N/A GLN 194.A N ASP 190.A O no hydrogen 2.838 N/A ASN 195.A N GLU 191.A O no hydrogen 3.136 N/A ALA 196.A N ARG 192.A O no hydrogen 2.850 N/A ILE 197.A N LEU 193.A O no hydrogen 2.915 N/A LEU 198.A N GLN 194.A O no hydrogen 3.043 N/A GLU 199.A N ASN 195.A O no hydrogen 3.088 N/A ARG 200.A N ILE 197.A O no hydrogen 2.966 N/A ARG 200.A NH1 ALA 196.A O no hydrogen 2.801 N/A HIS 201.A N ILE 197.A O no hydrogen 2.712 N/A GLU 203.A N GLU 203.A OE1 no hydrogen 2.664 N/A LEU 204.A N HIS 201.A O no hydrogen 3.040 N/A GLN 205.A N ARG 233.A O no hydrogen 2.996 N/A VAL 210.A N ASN 207.A OD1 no hydrogen 2.922 N/A ALA 211.A N ASN 207.A O no hydrogen 3.167 N/A CYS 212.A N VAL 208.A O no hydrogen 2.854 N/A CYS 212.A SG GLU 216.A OE2 no hydrogen 3.431 N/A ALA 213.A N ASN 209.A O no hydrogen 3.068 N/A VAL 214.A N VAL 210.A O no hydrogen 3.014 N/A LYS 215.A N ALA 211.A O no hydrogen 2.888 N/A LYS 215.A NZ GLY 186.A O no hydrogen 3.275 N/A LYS 215.A NZ ASP 190.A OD1 no hydrogen 2.622 N/A GLU 216.A N CYS 212.A O no hydrogen 2.848 N/A GLN 217.A N ALA 213.A O no hydrogen 2.984 N/A PHE 218.A N VAL 214.A O no hydrogen 2.933 N/A PHE 218.A N LYS 215.A O no hydrogen 3.245 N/A SER 219.A N LYS 215.A O no hydrogen 2.707 N/A VAL 221.A N ARG 291.A O no hydrogen 2.954 N/A GLY 222.A N GLU 252.A OE2 no hydrogen 2.729 N/A ALA 228.A N THR 244.A OG1 no hydrogen 2.914 N/A PHE 230.A N ALA 241.A O no hydrogen 3.020 N/A PHE 232.A N VAL 239.A O no hydrogen 2.779 N/A ALA 234.A N LYS 237.A O no hydrogen 2.872 N/A GLY 236.A N GLN 205.A OE1 no hydrogen 3.318 N/A LYS 237.A N ALA 234.A O no hydrogen 2.930 N/A VAL 239.A N PHE 232.A O no hydrogen 2.963 N/A ARG 240.A NH1 SER 229.A OG no hydrogen 3.059 N/A ALA 241.A N PHE 230.A O no hydrogen 3.006 N/A VAL 243.A N ALA 228.A O no hydrogen 2.705 N/A THR 244.A N ASP 242.A OD1 no hydrogen 2.931 N/A THR 244.A OG1 ASP 242.A OD1 no hydrogen 2.744 N/A VAL 247.A N VAL 243.A O no hydrogen 3.012 N/A LYS 248.A N THR 244.A O no hydrogen 2.941 N/A LYS 248.A NZ GLU 252.A OE1 no hydrogen 2.728 N/A LYS 248.A NZ GLU 252.A OE2 no hydrogen 3.328 N/A ILE 249.A N GLU 245.A O no hydrogen 2.932 N/A ALA 250.A N PRO 246.A O no hydrogen 3.048 N/A CYS 251.A N VAL 247.A O no hydrogen 2.969 N/A CYS 251.A SG VAL 247.A O no hydrogen 3.385 N/A GLU 252.A N LYS 248.A O no hydrogen 2.945 N/A ALA 253.A N ILE 249.A O no hydrogen 3.079 N/A LEU 254.A N CYS 251.A O no hydrogen 3.244 N/A MET 255.A N GLU 252.A O no hydrogen 2.982 N/A ILE 259.A N MET 255.A O no hydrogen 2.918 N/A GLU 260.A N PRO 256.A O no hydrogen 2.973 N/A SER 261.A N ASP 257.A O no hydrogen 2.897 N/A SER 261.A OG ASP 257.A O no hydrogen 2.753 N/A ILE 262.A N ILE 258.A O no hydrogen 2.914 N/A GLU 263.A N ILE 259.A O no hydrogen 2.989 N/A THR 264.A N GLU 260.A O no hydrogen 3.013 N/A THR 264.A OG1 GLU 260.A O no hydrogen 3.100 N/A LEU 265.A N SER 261.A O no hydrogen 2.998 N/A LEU 266.A N ILE 262.A O no hydrogen 2.706 N/A ARG 267.A N GLU 263.A O no hydrogen 3.124 N/A SER 268.A N LEU 265.A O no hydrogen 3.038 N/A SER 268.A OG LEU 265.A O no hydrogen 2.698 N/A PHE 269.A N LEU 266.A O no hydrogen 3.052 N/A GLU 272.A N GLU 272.A OE1 no hydrogen 2.758 N/A TYR 273.A N GLN 270.A O no hydrogen 2.971 N/A GLN 274.A N PRO 271.A O no hydrogen 3.107 N/A GLN 274.A NE2 PHE 269.A O no hydrogen 3.111 N/A VAL 277.A N TYR 273.A O no hydrogen 2.919 N/A LEU 278.A N GLN 274.A O no hydrogen 3.097 N/A GLN 279.A N THR 276.A O no hydrogen 2.895 N/A GLN 279.A NE2 ASP 275.A O no hydrogen 3.487 N/A GLN 279.A NE2 ASP 306.A O no hydrogen 2.576 N/A ASN 280.A N VAL 277.A O no hydrogen 2.888 N/A ASN 280.A ND2 ASN 153.A O no hydrogen 3.139 N/A VAL 282.A N ILE 155.A O no hydrogen 2.938 N/A PHE 283.A N THR 310.A O no hydrogen 2.745 N/A ALA 284.A N VAL 157.A O no hydrogen 2.790 N/A GLY 287.A N ILE 159.A O no hydrogen 2.910 N/A SER 288.A N GLY 285.A O no hydrogen 3.027 N/A SER 288.A OG GLY 285.A O no hydrogen 2.679 N/A ARG 289.A N GLY 286.A O no hydrogen 3.229 N/A ILE 290.A N GLY 287.A O no hydrogen 3.172 N/A ARG 291.A N SER 219.A O no hydrogen 3.050 N/A LEU 293.A N ILE 290.A O no hydrogen 3.241 N/A TYR 296.A N GLY 292.A O no hydrogen 3.049 N/A VAL 297.A N LEU 293.A O no hydrogen 2.927 N/A LYS 298.A N ALA 294.A O no hydrogen 2.923 N/A LYS 298.A NZ ASP 306.A OD1 no hydrogen 2.671 N/A LYS 298.A NZ ALA 307.A O no hydrogen 2.666 N/A GLU 299.A N ALA 295.A O no hydrogen 2.981 N/A LYS 300.A N TYR 296.A O no hydrogen 2.913 N/A LEU 301.A N VAL 297.A O no hydrogen 2.848 N/A LEU 301.A N LYS 298.A O no hydrogen 3.195 N/A ARG 302.A N GLU 299.A O no hydrogen 3.174 N/A ARG 302.A NH1 GLU 299.A OE2 no hydrogen 2.778 N/A PHE 304.A N LEU 301.A O no hydrogen 2.777 N/A GLY 305.A N LEU 301.A O no hydrogen 3.237 N/A GLY 305.A N ARG 302.A O no hydrogen 3.193 N/A ASN 308.A N LEU 278.A O no hydrogen 2.799 N/A ASN 308.A ND2 GLN 279.A O no hydrogen 3.370 N/A THR 310.A N ILE 281.A O no hydrogen 2.989 N/A CYS 311.A SG SER 288.A O no hydrogen 3.556 N/A VAL 312.A N PHE 283.A O no hydrogen 2.906 N/A ASP 314.A N ASP 318.A OD2 no hydrogen 2.938 N/A THR 316.A N ASP 314.A OD1 no hydrogen 3.008 N/A PHE 317.A N ASP 314.A O no hydrogen 3.276 N/A PHE 317.A N ASP 314.A OD1 no hydrogen 3.388 N/A ASP 318.A N ASP 314.A O no hydrogen 2.860 N/A CYS 320.A SG PHE 317.A O no hydrogen 3.367 N/A ARG 321.A N PHE 317.A O no hydrogen 2.973 N/A GLY 322.A N ASP 318.A O no hydrogen 2.963 N/A ALA 323.A N GLY 319.A O no hydrogen 2.879 N/A LEU 324.A N CYS 320.A O no hydrogen 2.848 N/A ARG 325.A N ARG 321.A O no hydrogen 3.031 N/A ARG 325.A NE GLU 329.A OE2 no hydrogen 2.776 N/A ARG 325.A NH1 ASP 149.A OD1 no hydrogen 3.320 N/A ARG 325.A NH2 ASP 149.A OD1 no hydrogen 3.203 N/A ARG 325.A NH2 GLU 329.A OE1 no hydrogen 3.163 N/A ARG 325.A NH2 GLU 329.A OE2 no hydrogen 3.462 N/A LEU 326.A N GLY 322.A O no hydrogen 2.927 N/A ALA 327.A N ALA 323.A O no hydrogen 2.928 N/A GLU 328.A N LEU 324.A O no hydrogen 2.966 N/A GLU 329.A N ARG 325.A O no hydrogen 2.928 N/A GLU 329.A N LEU 326.A O no hydrogen 3.216 N/A LEU 330.A N LEU 326.A O no hydrogen 2.921 N/A