Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ajl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N ALA 1.A O no hydrogen 3.024 N/A LEU 6.A N LEU 2.A O no hydrogen 2.970 N/A ILE 7.A N LYS 3.A O no hydrogen 2.847 N/A ASN 9.A ND2 LEU 11.A O no hydrogen 2.842 N/A GLN 16.A N ASP 42.A OD2 no hydrogen 2.781 N/A GLN 16.A NE2 VAL 14.A O no hydrogen 3.567 N/A ASN 17.A N ASP 42.A OD1 no hydrogen 2.804 N/A LYS 18.A NZ GLU 43.A OE2 no hydrogen 2.998 N/A LYS 18.A NZ VAL 81.A O no hydrogen 2.595 N/A LYS 18.A NZ ALA 83.A O no hydrogen 2.833 N/A ILE 19.A N GLU 43.A O no hydrogen 3.099 N/A THR 20.A N LEU 87.A O no hydrogen 2.979 N/A THR 20.A OG1 SER 85.A OG no hydrogen 2.684 N/A VAL 21.A N ALA 45.A O no hydrogen 2.908 N/A VAL 22.A N ILE 89.A O no hydrogen 2.717 N/A GLY 23.A N VAL 47.A O no hydrogen 2.709 N/A VAL 24.A N ASP 48.A OD2 no hydrogen 2.797 N/A MET 29.A N GLY 25.A O no hydrogen 2.995 N/A ALA 30.A N ALA 26.A O no hydrogen 3.093 N/A CYS 31.A N VAL 27.A O no hydrogen 2.955 N/A CYS 31.A SG VAL 27.A O no hydrogen 3.296 N/A ALA 32.A N GLY 28.A O no hydrogen 2.892 N/A ILE 33.A N MET 29.A O no hydrogen 2.904 N/A SER 34.A N ALA 30.A O no hydrogen 3.018 N/A SER 34.A OG ALA 30.A O no hydrogen 2.880 N/A ILE 35.A N CYS 31.A O no hydrogen 2.912 N/A LEU 36.A N ALA 32.A O no hydrogen 2.930 N/A MET 37.A N ILE 33.A O no hydrogen 2.888 N/A LYS 38.A N ILE 35.A O no hydrogen 3.260 N/A LYS 38.A NZ GLU 257.A OE1 no hydrogen 2.771 N/A ASP 39.A N LEU 36.A O no hydrogen 3.316 N/A ASP 42.A N ASN 17.A O no hydrogen 3.180 N/A LEU 44.A N LYS 72.A O no hydrogen 2.906 N/A ALA 45.A N ILE 19.A O no hydrogen 3.028 N/A LEU 46.A N VAL 74.A O no hydrogen 2.885 N/A VAL 47.A N VAL 21.A O no hydrogen 3.091 N/A VAL 49.A N ASP 48.A OD1 no hydrogen 2.655 N/A ILE 50.A N ASP 48.A OD1 no hydrogen 3.315 N/A LYS 53.A NZ GLU 57.A OE2 no hydrogen 2.620 N/A LEU 54.A N ILE 50.A O no hydrogen 3.008 N/A LYS 55.A N GLU 51.A O no hydrogen 3.038 N/A GLY 56.A N ASP 52.A O no hydrogen 2.862 N/A GLU 57.A N LYS 53.A O no hydrogen 2.979 N/A MET 58.A N LEU 54.A O no hydrogen 3.076 N/A MET 59.A N LYS 55.A O no hydrogen 2.978 N/A ASP 60.A N GLY 56.A O no hydrogen 2.938 N/A LEU 61.A N GLU 57.A O no hydrogen 3.032 N/A GLN 62.A N MET 58.A O no hydrogen 2.818 N/A GLN 62.A NE2 ILE 73.A O no hydrogen 2.792 N/A HIS 63.A N MET 59.A O no hydrogen 2.908 N/A GLY 64.A N LEU 61.A O no hydrogen 3.032 N/A SER 65.A N GLN 62.A O no hydrogen 2.936 N/A SER 65.A OG GLN 62.A O no hydrogen 2.651 N/A PHE 67.A N GLY 64.A O no hydrogen 2.876 N/A LEU 68.A N SER 65.A O no hydrogen 3.102 N/A THR 70.A OG1 ALA 41.A O no hydrogen 3.224 N/A VAL 74.A N LEU 44.A O no hydrogen 2.920 N/A SER 76.A N LEU 46.A O no hydrogen 3.256 N/A ASP 78.A N SER 76.A OG no hydrogen 2.943 N/A SER 80.A N ASP 78.A OD1 no hydrogen 3.005 N/A SER 80.A OG ASP 78.A OD1 no hydrogen 3.050 N/A VAL 81.A N ASP 78.A O no hydrogen 3.220 N/A THR 82.A N TYR 79.A O no hydrogen 2.862 N/A THR 82.A OG1 TYR 79.A O no hydrogen 2.625 N/A ALA 83.A N SER 80.A O no hydrogen 3.200 N/A ASN 84.A N TYR 123.A O no hydrogen 3.414 N/A SER 85.A N SER 124.A OG no hydrogen 2.889 N/A SER 85.A OG THR 20.A OG1 no hydrogen 2.684 N/A SER 85.A OG THR 82.A O no hydrogen 2.565 N/A LYS 86.A N LYS 18.A O no hydrogen 2.812 N/A LYS 86.A NZ GLN 16.A O no hydrogen 3.300 N/A LEU 87.A N LYS 18.A O no hydrogen 3.442 N/A VAL 88.A N LYS 128.A O no hydrogen 3.024 N/A ILE 89.A N THR 20.A O no hydrogen 2.859 N/A ILE 90.A N LEU 130.A O no hydrogen 2.923 N/A THR 91.A N VAL 22.A O no hydrogen 2.773 N/A THR 91.A OG1 VAL 22.A O no hydrogen 2.705 N/A THR 91.A OG1 GLY 23.A O no hydrogen 2.922 N/A ALA 94.A N ASN 109.A OD1 no hydrogen 2.783 N/A GLN 96.A NE2 GLU 100.A O no hydrogen 3.020 N/A GLN 97.A NE2 ARG 95.A O no hydrogen 3.030 N/A GLU 100.A N GLN 97.A O no hydrogen 3.102 N/A LEU 103.A N SER 101.A OG no hydrogen 2.933 N/A ASN 104.A N SER 101.A O no hydrogen 3.286 N/A ASN 104.A ND2 GLU 100.A OE1 no hydrogen 3.106 N/A LEU 105.A N ARG 102.A O no hydrogen 3.257 N/A VAL 106.A N LEU 103.A O no hydrogen 3.485 N/A GLN 107.A NE2 LEU 326.A O.A no hydrogen 3.013 N/A ARG 108.A NH2 ASN 104.A O no hydrogen 2.796 N/A ASN 109.A N LEU 105.A O no hydrogen 3.073 N/A ASN 109.A ND2 ALA 94.A O no hydrogen 2.988 N/A ASN 109.A ND2 ASN 134.A O no hydrogen 2.770 N/A VAL 110.A N VAL 106.A O no hydrogen 2.920 N/A ASN 111.A N GLN 107.A O no hydrogen 3.049 N/A ILE 112.A N ARG 108.A O no hydrogen 3.132 N/A PHE 113.A N ASN 109.A O no hydrogen 2.938 N/A LYS 114.A N VAL 110.A O no hydrogen 3.086 N/A LYS 114.A N ASN 111.A O no hydrogen 3.267 N/A LYS 114.A NZ GLN 327.A O.B no hydrogen 3.431 N/A PHE 115.A N ILE 112.A O no hydrogen 2.982 N/A ILE 116.A N ILE 112.A O no hydrogen 3.065 N/A ILE 117.A N PHE 113.A O no hydrogen 2.932 N/A ASN 119.A ND2 PHE 115.A O no hydrogen 2.739 N/A VAL 120.A N ILE 116.A O no hydrogen 2.978 N/A VAL 121.A N ILE 117.A O no hydrogen 3.038 N/A LYS 122.A N PRO 118.A O no hydrogen 2.998 N/A SER 124.A N VAL 120.A O no hydrogen 2.881 N/A CYS 127.A N SER 124.A O no hydrogen 3.249 N/A CYS 127.A SG SER 124.A O no hydrogen 3.357 N/A CYS 127.A SG LYS 128.A O no hydrogen 3.756 N/A LYS 128.A N LYS 86.A O no hydrogen 3.010 N/A LYS 128.A NZ GLN 293.A O no hydrogen 2.799 N/A LEU 129.A N ARG 153.A O no hydrogen 2.699 N/A LEU 130.A N VAL 88.A O no hydrogen 2.859 N/A ILE 131.A N ILE 155.A O no hydrogen 2.715 N/A VAL 132.A N ILE 90.A O no hydrogen 2.975 N/A SER 133.A N ILE 90.A O no hydrogen 3.265 N/A SER 133.A OG ILE 90.A O no hydrogen 3.295 N/A SER 133.A OG ALA 92.A O no hydrogen 2.609 N/A VAL 136.A N ASN 134.A OD1 no hydrogen 3.155 N/A LEU 139.A N PRO 135.A O no hydrogen 2.937 N/A THR 140.A N VAL 136.A O no hydrogen 2.921 N/A THR 140.A OG1 VAL 136.A O no hydrogen 2.681 N/A TYR 141.A N ASP 137.A O no hydrogen 3.384 N/A VAL 142.A N ILE 138.A O no hydrogen 2.922 N/A ALA 143.A N LEU 139.A O no hydrogen 2.864 N/A TRP 144.A N THR 140.A O no hydrogen 2.952 N/A LYS 145.A N TYR 141.A O no hydrogen 2.921 N/A ILE 146.A N VAL 142.A O no hydrogen 2.870 N/A SER 147.A N ALA 143.A O no hydrogen 2.824 N/A SER 147.A OG ALA 143.A O no hydrogen 2.821 N/A SER 147.A OG TRP 144.A O no hydrogen 3.222 N/A GLY 148.A N TRP 144.A O no hydrogen 3.227 N/A PHE 149.A N SER 147.A OG no hydrogen 3.158 N/A ASN 152.A ND2 ASN 294.A O no hydrogen 2.756 N/A ARG 153.A N PRO 150.A O no hydrogen 3.023 N/A ARG 153.A NH1 PRO 125.A O no hydrogen 3.242 N/A ARG 153.A NH1 CYS 127.A O no hydrogen 2.737 N/A ARG 153.A NH2 PRO 125.A O no hydrogen 3.521 N/A VAL 154.A N LYS 151.A O no hydrogen 3.298 N/A ILE 155.A N LEU 129.A O no hydrogen 2.855 N/A GLY 156.A N SER 270.A O no hydrogen 3.222 N/A SER 157.A N ILE 131.A O no hydrogen 2.761 N/A SER 157.A OG ILE 131.A O no hydrogen 3.380 N/A CYS 159.A N SER 286.A OG no hydrogen 2.854 N/A CYS 159.A SG GLY 187.A O no hydrogen 3.529 N/A CYS 159.A SG GLU 188.A O no hydrogen 3.610 N/A ASN 160.A N SER 157.A O no hydrogen 3.223 N/A ASN 160.A ND2 SER 251.A O no hydrogen 3.330 N/A ASN 160.A ND2 SER 251.A OG no hydrogen 3.082 N/A ASN 160.A ND2 ASP 254.A OD2 no hydrogen 3.031 N/A SER 163.A N CYS 159.A O no hydrogen 2.932 N/A SER 163.A OG CYS 159.A O no hydrogen 3.135 N/A ALA 164.A N ASN 160.A O no hydrogen 3.102 N/A ARG 165.A N LEU 161.A O no hydrogen 2.770 N/A PHE 166.A N ASP 162.A O no hydrogen 2.900 N/A ARG 167.A N SER 163.A O no hydrogen 2.921 N/A ARG 167.A NE PRO 178.A O no hydrogen 3.307 N/A ARG 167.A NE CYS 181.A O no hydrogen 2.690 N/A ARG 167.A NH2 PRO 178.A O no hydrogen 3.239 N/A TYR 168.A N ALA 164.A O no hydrogen 2.889 N/A LEU 169.A N ARG 165.A O no hydrogen 2.935 N/A MET 170.A N PHE 166.A O no hydrogen 2.868 N/A GLY 171.A N ARG 167.A O no hydrogen 2.883 N/A GLU 172.A N TYR 168.A O no hydrogen 2.956 N/A ARG 173.A N LEU 169.A O no hydrogen 3.240 N/A ARG 173.A NH1 GLU 221.A O no hydrogen 3.362 N/A LEU 174.A N MET 170.A O no hydrogen 3.013 N/A GLY 175.A N GLY 171.A O no hydrogen 2.768 N/A VAL 176.A N GLY 171.A O no hydrogen 2.988 N/A LEU 179.A N HIS 177.A ND1 no hydrogen 3.054 N/A SER 180.A N HIS 177.A O no hydrogen 2.887 N/A CYS 181.A N PRO 178.A O no hydrogen 3.082 N/A CYS 181.A SG VAL 176.A O no hydrogen 4.024 N/A CYS 181.A SG HIS 177.A O no hydrogen 3.753 N/A HIS 182.A N ASN 201.A O no hydrogen 2.945 N/A VAL 185.A N SER 163.A OG no hydrogen 2.994 N/A LEU 186.A N VAL 194.A O no hydrogen 2.895 N/A GLY 187.A N SER 286.A O no hydrogen 2.899 N/A GLU 188.A N SER 315.A OG no hydrogen 2.884 N/A HIS 189.A N ASP 137.A OD2 no hydrogen 2.866 N/A HIS 189.A ND1 ASP 162.A OD1 no hydrogen 2.506 N/A SER 192.A N GLU 188.A OE1 no hydrogen 3.090 N/A SER 192.A OG GLU 188.A OE1 no hydrogen 2.666 N/A SER 192.A OG SER 315.A OG no hydrogen 2.797 N/A SER 193.A N GLY 190.A O no hydrogen 3.238 N/A SER 193.A OG GLY 190.A O no hydrogen 3.495 N/A SER 193.A OG HIS 227.A NE2 no hydrogen 2.744 N/A VAL 194.A N LEU 186.A O no hydrogen 2.728 N/A VAL 196.A N TRP 184.A O no hydrogen 2.876 N/A SER 198.A N GLU 308.A OE2 no hydrogen 2.893 N/A SER 198.A OG GLU 308.A OE1 no hydrogen 2.626 N/A SER 198.A OG GLU 308.A OE2 no hydrogen 3.171 N/A GLY 199.A N VAL 196.A O no hydrogen 3.111 N/A VAL 200.A N TRP 197.A O no hydrogen 3.255 N/A ASN 201.A N HIS 182.A O no hydrogen 2.835 N/A ASN 201.A ND2 GLY 199.A O no hydrogen 2.922 N/A VAL 202.A N VAL 205.A O no hydrogen 3.145 N/A GLY 204.A N ASN 201.A OD1 no hydrogen 3.167 N/A VAL 205.A N VAL 202.A O no hydrogen 2.918 N/A LEU 207.A N VAL 200.A O no hydrogen 2.991 N/A SER 209.A N SER 206.A O no hydrogen 3.113 N/A SER 209.A N SER 206.A OG no hydrogen 3.319 N/A SER 209.A OG SER 206.A O no hydrogen 2.565 N/A LEU 210.A N LEU 207.A O no hydrogen 2.992 N/A ASN 211.A N LEU 207.A O no hydrogen 2.918 N/A ASN 211.A ND2 ASP 219.A OD1 no hydrogen 2.795 N/A LEU 214.A N ASN 211.A O no hydrogen 2.876 N/A GLY 215.A N ASP 219.A OD2 no hydrogen 3.153 N/A THR 216.A N GLN 213.A O no hydrogen 2.918 N/A THR 216.A OG1 GLN 213.A O no hydrogen 2.791 N/A THR 216.A OG1 GLN 213.A OE1.B no hydrogen 2.911 N/A ALA 218.A N THR 216.A OG1 no hydrogen 3.165 N/A ASP 219.A N THR 216.A O no hydrogen 3.258 N/A GLU 221.A N ASP 219.A OD1 no hydrogen 3.092 N/A GLN 222.A N ASP 219.A O no hydrogen 2.964 N/A GLN 222.A NE2 ASP 217.A O no hydrogen 2.703 N/A GLN 222.A NE2 ASP 219.A O no hydrogen 2.758 N/A TRP 223.A N ASP 219.A OD2 no hydrogen 2.888 N/A TRP 223.A NE1 GLU 221.A OE1 no hydrogen 3.333 N/A LYS 224.A NZ GLY 215.A O no hydrogen 3.214 N/A ASP 225.A N GLN 222.A O no hydrogen 3.126 N/A VAL 226.A N TRP 223.A O no hydrogen 2.922 N/A HIS 227.A NE2 SER 193.A OG no hydrogen 2.744 N/A LYS 228.A N LYS 224.A O no hydrogen 2.871 N/A LYS 228.A NZ ASP 232.A OD2 no hydrogen 2.956 N/A GLN 229.A N ASP 225.A O no hydrogen 2.892 N/A VAL 230.A N VAL 226.A O no hydrogen 2.992 N/A VAL 231.A N HIS 227.A O no hydrogen 2.895 N/A ASP 232.A N LYS 228.A O no hydrogen 2.866 N/A SER 233.A OG VAL 230.A O no hydrogen 2.771 N/A TYR 235.A OH ASP 191.A OD1 no hydrogen 2.575 N/A GLU 236.A N ASP 232.A O no hydrogen 2.948 N/A VAL 237.A N SER 233.A O no hydrogen 2.931 N/A ILE 238.A N ALA 234.A O no hydrogen 2.838 N/A LYS 239.A N TYR 235.A O no hydrogen 2.950 N/A LEU 240.A N GLU 236.A O no hydrogen 3.025 N/A LYS 241.A N VAL 237.A O no hydrogen 2.822 N/A LYS 241.A NZ SER 245.A OG no hydrogen 3.107 N/A GLY 242.A N ILE 238.A O no hydrogen 2.736 N/A GLY 249.A N SER 245.A O no hydrogen 2.940 N/A LEU 250.A N TRP 246.A O no hydrogen 3.106 N/A SER 251.A N ALA 247.A O no hydrogen 2.881 N/A VAL 252.A N ILE 248.A O no hydrogen 2.818 N/A ALA 253.A N GLY 249.A O no hydrogen 2.928 N/A ASP 254.A N LEU 250.A O no hydrogen 3.022 N/A LEU 255.A N SER 251.A O no hydrogen 3.129 N/A ALA 256.A N VAL 252.A O no hydrogen 2.813 N/A GLU 257.A N ALA 253.A O no hydrogen 2.875 N/A SER 258.A N ASP 254.A O no hydrogen 3.275 N/A SER 258.A OG HIS 267.A NE2 no hydrogen 2.680 N/A ILE 259.A N LEU 255.A O no hydrogen 3.056 N/A MET 260.A N ALA 256.A O no hydrogen 2.768 N/A LYS 261.A N GLU 257.A O no hydrogen 2.913 N/A ASN 262.A N ILE 259.A O no hydrogen 3.265 N/A LEU 263.A N SER 258.A O no hydrogen 2.927 N/A ARG 264.A N LEU 291.A O no hydrogen 2.895 N/A ARG 264.A NH2 ASP 298.A OD1 no hydrogen 3.012 N/A ARG 265.A NE SER 258.A OG no hydrogen 2.875 N/A ARG 265.A NH1 ASP 254.A OD1 no hydrogen 3.004 N/A ARG 265.A NH2 ASP 254.A OD1 no hydrogen 3.061 N/A HIS 267.A N CYS 289.A O no hydrogen 2.850 N/A HIS 267.A ND1 ASN 160.A OD1 no hydrogen 2.956 N/A HIS 267.A NE2 SER 258.A OG no hydrogen 2.680 N/A ILE 269.A N VAL 287.A O no hydrogen 3.368 N/A SER 270.A N GLY 156.A O no hydrogen 2.987 N/A SER 270.A OG ASP 137.A OD1 no hydrogen 2.687 N/A THR 271.A N LEU 285.A O no hydrogen 3.103 N/A ILE 273.A N VAL 283.A O no hydrogen 2.889 N/A LYS 274.A NZ ASP 282.A OD1 no hydrogen 2.907 N/A GLY 275.A N ILE 279.A O no hydrogen 2.794 N/A LEU 276.A N ILE 273.A O no hydrogen 3.122 N/A TYR 277.A OH VAL 302.A O no hydrogen 2.848 N/A ILE 279.A N LEU 276.A O no hydrogen 3.070 N/A VAL 283.A N GLU 281.A O no hydrogen 2.778 N/A LEU 285.A N THR 271.A O no hydrogen 3.158 N/A SER 286.A N GLY 187.A O no hydrogen 3.024 N/A VAL 287.A N ILE 269.A O no hydrogen 3.445 N/A CYS 289.A N HIS 267.A O no hydrogen 2.823 N/A CYS 289.A SG ILE 269.A O no hydrogen 3.991 N/A CYS 289.A SG VAL 287.A O no hydrogen 3.417 N/A ILE 290.A N ASP 298.A O no hydrogen 2.965 N/A LEU 291.A N ARG 265.A O no hydrogen 2.998 N/A GLY 292.A N GLY 295.A O no hydrogen 3.017 N/A GLN 293.A N ASN 262.A OD1 no hydrogen 2.975 N/A GLY 295.A N GLY 292.A O no hydrogen 3.063 N/A ILE 296.A N ASN 152.A O no hydrogen 2.933 N/A SER 297.A N ILE 290.A O no hydrogen 3.321 N/A SER 297.A OG ASP 298.A OD1 no hydrogen 2.670 N/A VAL 300.A N PRO 288.A O no hydrogen 2.827 N/A THR 305.A N GLU 308.A OE1 no hydrogen 3.058 N/A GLU 308.A N THR 305.A OG1 no hydrogen 3.298 N/A GLU 309.A N THR 305.A O no hydrogen 2.885 N/A ALA 310.A N PRO 306.A O no hydrogen 2.995 N/A ARG 311.A N ASP 307.A O no hydrogen 2.949 N/A ARG 311.A NE ASP 307.A OD1 no hydrogen 2.819 N/A LEU 312.A N GLU 308.A O no hydrogen 2.941 N/A LYS 313.A N GLU 309.A O no hydrogen 2.917 N/A LYS 313.A NZ GLU 309.A OE2 no hydrogen 3.483 N/A LYS 314.A N ALA 310.A O no hydrogen 2.973 N/A SER 315.A N ARG 311.A O no hydrogen 3.057 N/A SER 315.A OG SER 192.A O no hydrogen 3.361 N/A SER 315.A OG SER 192.A OG no hydrogen 2.797 N/A ALA 316.A N LEU 312.A O no hydrogen 3.019 N/A ASP 317.A N LYS 313.A O no hydrogen 2.832 N/A THR 318.A N LYS 314.A O no hydrogen 2.865 N/A THR 318.A OG1 LYS 314.A O no hydrogen 2.957 N/A LEU 319.A N SER 315.A O no hydrogen 3.031 N/A TRP 320.A N ALA 316.A O no hydrogen 2.934 N/A GLY 321.A N ASP 317.A O no hydrogen 3.031 N/A GLN 323.A N LEU 319.A O no hydrogen 3.022 N/A GLN 323.A NE2 ASP 282.A O no hydrogen 2.805 N/A LYS 324.A N TRP 320.A O no hydrogen 2.859 N/A GLU 325.A N ILE 322.A O no hydrogen 3.284 N/A LEU 326.A N.A GLN 323.A O no hydrogen 3.289 N/A LEU 326.A N.B GLN 323.A O no hydrogen 3.301 N/A