Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kl9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N SER 1.A O no hydrogen 3.196 N/A PHE 6.A N MET 2.A O no hydrogen 2.793 N/A SER 7.A N THR 3.A O no hydrogen 2.955 N/A SER 7.A OG THR 3.A O no hydrogen 3.190 N/A LYS 8.A N THR 4.A O no hydrogen 2.958 N/A LYS 8.A NZ GLU 177.A OE1 no hydrogen 2.665 N/A LYS 8.A NZ GLU 177.A OE2 no hydrogen 3.569 N/A ILE 9.A N LEU 5.A O no hydrogen 3.009 N/A LYS 10.A N PHE 6.A O no hydrogen 2.807 N/A LYS 10.A NZ GLU 14.A OE2 no hydrogen 2.804 N/A LYS 10.A NZ ALA 152.A O no hydrogen 3.340 N/A GLU 11.A N SER 7.A O no hydrogen 3.181 N/A VAL 12.A N LYS 8.A O no hydrogen 3.372 N/A THR 13.A N ILE 9.A O no hydrogen 2.958 N/A THR 13.A OG1 ILE 9.A O no hydrogen 2.937 N/A THR 13.A OG1 LYS 10.A O no hydrogen 3.509 N/A GLU 14.A N LYS 10.A O no hydrogen 3.169 N/A ALA 17.A N GLU 70.A OE2 no hydrogen 2.672 N/A SER 19.A OG ASP 69.A OD2 no hydrogen 2.743 N/A GLY 20.A N GLU 22.A OE2 no hydrogen 3.199 N/A HIS 21.A N VAL 18.A O no hydrogen 2.888 N/A VAL 25.A N GLU 22.A O no hydrogen 3.051 N/A ARG 26.A N GLU 22.A O no hydrogen 2.930 N/A ARG 26.A NH1 GLY 46.A O no hydrogen 2.945 N/A ALA 27.A N ALA 23.A O no hydrogen 2.924 N/A LEU 29.A N VAL 25.A O no hydrogen 3.036 N/A ARG 30.A N ARG 26.A O no hydrogen 2.834 N/A GLU 31.A N ALA 27.A O no hydrogen 3.247 N/A LYS 32.A N TYR 28.A O no hydrogen 3.283 N/A LEU 33.A N LEU 29.A O no hydrogen 2.813 N/A THR 34.A N ARG 30.A O no hydrogen 3.135 N/A THR 34.A OG1 ARG 30.A O no hydrogen 2.533 N/A HIS 36.A N LEU 33.A O no hydrogen 2.919 N/A HIS 36.A ND1 SER 183.A OG no hydrogen 2.985 N/A ASP 38.A N ILE 51.A O no hydrogen 3.143 N/A VAL 41.A N PHE 49.A O no hydrogen 2.773 N/A THR 42.A OG1 GLY 47.A O no hydrogen 3.306 N/A ASP 43.A N GLY 47.A O no hydrogen 2.864 N/A LEU 45.A N ASP 43.A OD1 no hydrogen 3.039 N/A GLY 46.A N ASP 43.A O no hydrogen 2.993 N/A GLY 47.A N ASP 43.A OD1 no hydrogen 2.719 N/A PHE 49.A N VAL 41.A O no hydrogen 2.846 N/A GLY 50.A N LEU 193.A O no hydrogen 2.583 N/A ILE 51.A N GLU 39.A O no hydrogen 2.792 N/A LYS 52.A N LEU 191.A O no hydrogen 2.738 N/A LYS 52.A NZ SER 183.A O no hydrogen 3.146 N/A LYS 52.A NZ GLN 185.A O no hydrogen 2.939 N/A HIS 53.A N ASP 38.A OD2 no hydrogen 2.831 N/A HIS 53.A ND1 GLU 190.A OE1 no hydrogen 2.626 N/A SER 54.A N GLU 190.A OE2 no hydrogen 3.349 N/A SER 54.A OG LEU 187.A O no hydrogen 2.914 N/A ALA 56.A N SER 54.A OG no hydrogen 2.921 N/A ARG 61.A NH1 PHE 213.A O no hydrogen 2.873 N/A VAL 62.A N GLU 190.A O no hydrogen 3.101 N/A LEU 63.A N VAL 217.A O no hydrogen 3.143 N/A VAL 64.A N TYR 192.A O no hydrogen 2.731 N/A ALA 65.A N LEU 219.A O no hydrogen 3.008 N/A SER 66.A N GLY 194.A O no hydrogen 3.084 N/A SER 66.A OG GLY 194.A O no hydrogen 3.543 N/A SER 66.A OG SER 195.A OG no hydrogen 2.955 N/A HIS 67.A N ASN 168.A OD1 no hydrogen 3.328 N/A HIS 67.A NE2 GLU 200.A OE1 no hydrogen 3.291 N/A MET 68.A N ASN 196.A O no hydrogen 3.026 N/A GLU 70.A N ALA 17.A O no hydrogen 2.807 N/A GLY 72.A N ILE 89.A O no hydrogen 2.969 N/A PHE 73.A N ILE 146.A O no hydrogen 2.800 N/A MET 74.A N VAL 87.A O no hydrogen 2.941 N/A VAL 75.A N ASP 144.A O no hydrogen 2.901 N/A SER 76.A N ARG 85.A O no hydrogen 2.935 N/A SER 76.A OG ARG 85.A O no hydrogen 3.069 N/A GLU 77.A N ARG 85.A O no hydrogen 3.472 N/A LYS 79.A N THR 83.A O no hydrogen 2.897 N/A GLY 82.A N LYS 79.A O no hydrogen 2.776 N/A THR 83.A N ASP 81.A OD1 no hydrogen 3.079 N/A THR 83.A OG1 ASP 81.A OD1 no hydrogen 2.801 N/A PHE 84.A N PHE 125.A O no hydrogen 2.640 N/A ARG 85.A N GLU 77.A O no hydrogen 3.200 N/A ARG 85.A NE PHE 84.A O no hydrogen 3.011 N/A VAL 87.A N MET 74.A O no hydrogen 2.946 N/A ILE 89.A N GLY 72.A O no hydrogen 2.680 N/A MET 95.A N ASN 93.A OD1 no hydrogen 3.067 N/A VAL 96.A N ASN 93.A O no hydrogen 3.218 N/A GLN 100.A N SER 116.A OG no hydrogen 2.991 N/A GLN 100.A NE2 VAL 96.A O no hydrogen 3.047 N/A PHE 102.A N VAL 114.A O no hydrogen 2.824 N/A LYS 103.A N VAL 147.A O no hydrogen 2.722 N/A LEU 104.A N ILE 112.A O no hydrogen 2.793 N/A LEU 105.A N THR 145.A O no hydrogen 2.837 N/A THR 106.A N HIS 110.A O no hydrogen 3.002 N/A GLY 109.A N THR 106.A O no hydrogen 3.182 N/A HIS 110.A N ASP 108.A OD1 no hydrogen 3.006 N/A ILE 112.A N LEU 104.A O no hydrogen 2.994 N/A VAL 114.A N PHE 102.A O no hydrogen 3.119 N/A ILE 115.A N ASP 126.A O no hydrogen 2.893 N/A SER 116.A N GLN 100.A O no hydrogen 3.141 N/A SER 116.A OG VAL 97.A O no hydrogen 2.540 N/A GLY 117.A N VAL 124.A O no hydrogen 2.735 N/A ASP 122.A N ALA 119.A O no hydrogen 2.817 N/A ILE 123.A N ILE 120.A O no hydrogen 2.980 N/A PHE 125.A N PHE 84.A O no hydrogen 2.931 N/A ASP 126.A N ILE 115.A O no hydrogen 2.712 N/A GLY 128.A N ASP 126.A OD2 no hydrogen 2.747 N/A ALA 130.A N GLU 134.A OE2 no hydrogen 2.737 N/A LYS 132.A N PRO 80.A O no hydrogen 2.807 N/A LYS 132.A NZ GLU 136.A OE1 no hydrogen 2.900 N/A GLU 134.A N ASP 131.A OD2 no hydrogen 3.135 N/A ALA 135.A N ASP 131.A O no hydrogen 3.256 N/A GLU 136.A N LYS 132.A O no hydrogen 3.003 N/A SER 137.A N ALA 133.A O no hydrogen 2.901 N/A SER 137.A OG GLU 134.A O no hydrogen 2.628 N/A PHE 138.A N ALA 135.A O no hydrogen 3.201 N/A GLY 139.A N GLU 136.A O no hydrogen 2.936 N/A ARG 141.A N ASP 144.A OD2 no hydrogen 2.625 N/A ARG 141.A NH1 GLU 136.A O no hydrogen 3.123 N/A ARG 141.A NH1 ILE 140.A O no hydrogen 2.765 N/A GLY 143.A N VAL 75.A O no hydrogen 2.794 N/A ASP 144.A N ARG 141.A O no hydrogen 3.118 N/A ILE 146.A N PHE 73.A O no hydrogen 2.698 N/A VAL 147.A N LYS 103.A O no hydrogen 2.957 N/A ASP 149.A N ARG 101.A O no hydrogen 2.890 N/A SER 150.A OG HIS 306.A O no hydrogen 2.725 N/A ALA 152.A N GLU 14.A OE2 no hydrogen 2.793 N/A ILE 153.A N ILE 162.A O no hydrogen 2.866 N/A THR 155.A N ASN 160.A O no hydrogen 2.908 N/A THR 155.A OG1 ASN 157.A OD1 no hydrogen 3.348 N/A THR 155.A OG1 ASN 160.A O no hydrogen 3.270 N/A GLU 158.A N THR 155.A O no hydrogen 2.884 N/A LYS 159.A N ASN 157.A OD1 no hydrogen 2.752 N/A ILE 161.A N TYR 310.A O no hydrogen 2.912 N/A ILE 162.A N ILE 153.A O no hydrogen 2.803 N/A SER 163.A N THR 308.A O no hydrogen 2.942 N/A SER 163.A OG LYS 164.A O no hydrogen 2.751 N/A SER 163.A OG TYR 310.A OH no hydrogen 2.711 N/A LYS 164.A NZ THR 13.A O no hydrogen 2.370 N/A LYS 164.A NZ LEU 15.A O no hydrogen 2.799 N/A LYS 164.A NZ GLU 70.A OE1 no hydrogen 2.795 N/A ARG 169.A N ALA 165.A O no hydrogen 2.938 N/A ARG 169.A NE MET 68.A O no hydrogen 2.973 N/A ARG 169.A NH1 VAL 12.A O no hydrogen 3.230 N/A ARG 169.A NH1 LEU 15.A O no hydrogen 2.988 N/A ARG 169.A NH1 GLU 70.A OE2 no hydrogen 3.297 N/A ARG 169.A NH2 MET 68.A O no hydrogen 2.810 N/A ARG 169.A NH2 GLU 70.A OE2 no hydrogen 2.791 N/A TYR 170.A N TRP 166.A O no hydrogen 2.979 N/A TYR 170.A OH ILE 296.A O no hydrogen 2.722 N/A VAL 172.A N ASN 168.A O no hydrogen 3.212 N/A LEU 173.A N ARG 169.A O no hydrogen 2.772 N/A MET 174.A N TYR 170.A O no hydrogen 2.784 N/A VAL 175.A N GLY 171.A O no hydrogen 3.085 N/A SER 176.A N VAL 172.A O no hydrogen 3.076 N/A GLU 177.A N LEU 173.A O no hydrogen 2.808 N/A LEU 178.A N MET 174.A O no hydrogen 2.928 N/A ALA 179.A N VAL 175.A O no hydrogen 2.935 N/A GLU 180.A N SER 176.A O no hydrogen 3.239 N/A ALA 181.A N GLU 177.A O no hydrogen 3.003 N/A LEU 182.A N LEU 178.A O no hydrogen 2.981 N/A SER 183.A N GLU 180.A O no hydrogen 3.236 N/A SER 183.A OG HIS 36.A ND1 no hydrogen 2.985 N/A LYS 186.A NZ GLU 55.A OE1 no hydrogen 2.886 N/A LYS 186.A NZ GLU 55.A OE2 no hydrogen 3.360 N/A ASN 189.A ND2 VAL 326.A O no hydrogen 2.873 N/A ASN 189.A ND2 LEU 329.A O no hydrogen 2.676 N/A GLU 190.A N PRO 60.A O no hydrogen 2.854 N/A LEU 191.A N LYS 52.A O no hydrogen 3.153 N/A TYR 192.A N VAL 62.A O no hydrogen 2.742 N/A LEU 193.A N GLY 50.A O no hydrogen 2.719 N/A GLY 194.A N VAL 64.A O no hydrogen 2.895 N/A SER 195.A N ILE 48.A O no hydrogen 3.108 N/A SER 195.A OG SER 66.A OG no hydrogen 2.955 N/A ASN 196.A N SER 66.A O no hydrogen 2.557 N/A ASN 196.A ND2 ASP 280.A OD2 no hydrogen 2.946 N/A GLN 198.A N GLU 22.A OE2 no hydrogen 3.156 N/A GLU 199.A N ASP 69.A OD1 no hydrogen 2.899 N/A GLU 200.A N ASP 69.A OD2 no hydrogen 2.782 N/A GLY 202.A N GLU 199.A O no hydrogen 3.236 N/A LEU 203.A N GLU 199.A O no hydrogen 3.093 N/A ARG 204.A N GLN 198.A O no hydrogen 3.080 N/A GLY 205.A N VAL 197.A O no hydrogen 3.108 N/A HIS 207.A N ARG 204.A O no hydrogen 3.255 N/A THR 208.A OG1 ASP 43.A OD2 no hydrogen 3.173 N/A THR 208.A OG1 GLY 205.A O no hydrogen 2.959 N/A SER 209.A N GLY 205.A O no hydrogen 2.854 N/A SER 209.A OG ASN 196.A OD1 no hydrogen 2.654 N/A SER 209.A OG GLY 205.A O no hydrogen 3.087 N/A THR 210.A N ALA 206.A O no hydrogen 3.440 N/A THR 210.A OG1 ALA 206.A O no hydrogen 2.485 N/A THR 211.A N HIS 207.A O no hydrogen 3.369 N/A THR 211.A OG1 HIS 207.A O no hydrogen 2.863 N/A LYS 212.A N THR 208.A O no hydrogen 3.162 N/A PHE 213.A N SER 209.A O no hydrogen 2.953 N/A ASP 214.A N THR 210.A O no hydrogen 2.925 N/A GLU 216.A N ARG 61.A O no hydrogen 2.761 N/A PHE 218.A N PRO 292.A O no hydrogen 2.938 N/A LEU 219.A N LEU 63.A O no hydrogen 2.946 N/A ALA 220.A N THR 294.A O no hydrogen 2.647 N/A VAL 221.A N ALA 65.A O no hydrogen 2.802 N/A CYS 223.A N ASP 222.A OD2 no hydrogen 2.854 N/A SER 224.A N VAL 298.A O no hydrogen 3.028 N/A ALA 226.A N ALA 300.A O no hydrogen 2.622 N/A GLY 227.A N GLN 233.A O no hydrogen 2.889 N/A ASP 228.A N GLY 234.A O no hydrogen 2.978 N/A TYR 230.A N GLY 227.A O no hydrogen 2.879 N/A LYS 235.A N GLN 271.A OE1 no hydrogen 2.880 N/A ILE 236.A N ASP 228.A OD2 no hydrogen 2.849 N/A GLY 237.A N ASP 314.A OD2 no hydrogen 2.959 N/A ASP 238.A N LYS 235.A O no hydrogen 3.125 N/A GLY 239.A N ASP 314.A OD1 no hydrogen 2.877 N/A THR 240.A N LYS 269.A O no hydrogen 3.008 N/A THR 240.A OG1 GLY 297.A O no hydrogen 2.758 N/A LEU 241.A N GLY 297.A O no hydrogen 2.979 N/A ILE 242.A N GLN 271.A O no hydrogen 2.911 N/A ARG 243.A NH1 ASP 246.A OD2 no hydrogen 2.818 N/A ARG 243.A NH1 GLY 277.A O no hydrogen 2.828 N/A ASP 246.A N HIS 249.A O no hydrogen 3.040 N/A GLY 248.A N ASP 246.A OD1 no hydrogen 2.855 N/A HIS 249.A N ASP 246.A O no hydrogen 3.065 N/A LEU 251.A N PHE 244.A O no hydrogen 3.156 N/A LYS 256.A N LEU 252.A O no hydrogen 2.854 N/A ASP 257.A N PRO 253.A O no hydrogen 2.850 N/A PHE 258.A N GLY 254.A O no hydrogen 3.291 N/A LEU 259.A N MET 255.A O no hydrogen 2.809 N/A LEU 260.A N LYS 256.A O no hydrogen 3.001 N/A THR 261.A N ASP 257.A O no hydrogen 3.005 N/A THR 261.A OG1 ASP 257.A O no hydrogen 2.941 N/A THR 262.A N PHE 258.A O no hydrogen 3.089 N/A THR 262.A OG1 PHE 258.A O no hydrogen 2.686 N/A ALA 263.A N LEU 259.A O no hydrogen 2.913 N/A GLU 264.A N LEU 260.A O no hydrogen 2.959 N/A GLU 264.A N THR 261.A O no hydrogen 3.259 N/A GLU 265.A N THR 261.A O no hydrogen 2.992 N/A ALA 266.A N THR 262.A O no hydrogen 3.000 N/A GLY 267.A N GLU 264.A O no hydrogen 3.204 N/A ILE 268.A N ALA 263.A O no hydrogen 2.973 N/A LYS 269.A N GLU 317.A OE2 no hydrogen 2.657 N/A LYS 269.A NZ GLY 237.A O no hydrogen 2.829 N/A GLN 271.A N THR 240.A O no hydrogen 2.871 N/A GLN 271.A NE2 LYS 235.A O no hydrogen 2.974 N/A GLN 271.A NE2 GLY 239.A O no hydrogen 3.180 N/A TYR 273.A N ILE 242.A O no hydrogen 2.920 N/A TYR 273.A OH PRO 225.A O no hydrogen 2.722 N/A GLY 275.A N TYR 245.A O no hydrogen 2.688 N/A THR 279.A OG1 THR 295.A OG1 no hydrogen 2.694 N/A GLY 282.A N THR 279.A O no hydrogen 2.896 N/A ALA 283.A N ASP 280.A O no hydrogen 3.062 N/A ALA 284.A N ASP 280.A O no hydrogen 3.056 N/A HIS 285.A N ALA 281.A O no hydrogen 3.083 N/A HIS 285.A ND1 ALA 281.A O no hydrogen 2.829 N/A LEU 286.A N ALA 283.A O no hydrogen 3.338 N/A LYS 287.A N ALA 284.A O no hydrogen 2.923 N/A LYS 287.A NZ HIS 207.A ND1 no hydrogen 3.053 N/A ASN 288.A ND2 THR 210.A O no hydrogen 2.984 N/A GLY 290.A N LYS 287.A O no hydrogen 3.039 N/A VAL 291.A N HIS 285.A O no hydrogen 2.954 N/A SER 293.A OG VAL 291.A O no hydrogen 2.720 N/A THR 294.A N PHE 218.A O no hydrogen 3.228 N/A THR 295.A OG1 THR 279.A OG1 no hydrogen 2.694 N/A ILE 296.A N ALA 220.A O no hydrogen 2.625 N/A ALA 300.A N SER 224.A O no hydrogen 2.942 N/A ARG 301.A N LEU 309.A O no hydrogen 2.858 N/A ARG 301.A NE ASP 228.A OD1 no hydrogen 2.883 N/A ARG 301.A NE ASP 228.A OD2 no hydrogen 3.408 N/A ARG 301.A NH2 ASP 228.A OD2 no hydrogen 3.041 N/A HIS 304.A ND1 GLY 91.A O no hydrogen 2.680 N/A SER 305.A OG TYR 302.A O no hydrogen 2.828 N/A GLN 307.A N SER 305.A OG no hydrogen 3.122 N/A THR 308.A N SER 163.A O no hydrogen 2.736 N/A THR 308.A OG1 TYR 302.A O no hydrogen 3.108 N/A LEU 309.A N ARG 301.A O no hydrogen 3.035 N/A TYR 310.A N ILE 161.A O no hydrogen 3.122 N/A TYR 310.A OH SER 163.A OG no hydrogen 2.711 N/A MET 312.A N LYS 159.A O no hydrogen 3.205 N/A LEU 316.A N MET 312.A O no hydrogen 3.143 N/A GLU 317.A N ASP 313.A O no hydrogen 2.936 N/A ALA 318.A N ASP 314.A O no hydrogen 2.912 N/A GLN 319.A N PHE 315.A O no hydrogen 2.795 N/A GLN 319.A NE2 MET 174.A O no hydrogen 2.987 N/A ALA 320.A N LEU 316.A O no hydrogen 3.052 N/A PHE 321.A N GLU 317.A O no hydrogen 3.009 N/A LEU 322.A N ALA 318.A O no hydrogen 2.873 N/A GLN 323.A N GLN 319.A O no hydrogen 2.891 N/A GLN 323.A NE2 GLN 319.A OE1 no hydrogen 2.943 N/A ALA 324.A N ALA 320.A O no hydrogen 3.027 N/A LEU 325.A N PHE 321.A O no hydrogen 2.900 N/A VAL 326.A N LEU 322.A O no hydrogen 3.114 N/A LYS 327.A N GLN 323.A O no hydrogen 2.903 N/A LYS 328.A N LEU 325.A O no hydrogen 3.222 N/A LYS 328.A NZ GLU 265.A OE1 no hydrogen 3.195 N/A LEU 329.A N VAL 326.A O no hydrogen 3.283 N/A ASP 330.A N THR 333.A OG1 no hydrogen 2.801 N/A ARG 331.A NE ASP 58.A O no hydrogen 2.922 N/A ARG 331.A NH1 GLU 216.A OE1 no hydrogen 3.258 N/A ARG 331.A NH1 ASP 335.A OD1 no hydrogen 2.926 N/A ARG 331.A NH2 ASP 58.A O no hydrogen 3.202 N/A ARG 331.A NH2 ASP 58.A OD1 no hydrogen 3.214 N/A ARG 331.A NH2 GLU 216.A OE2 no hydrogen 2.936 N/A THR 333.A N ASP 330.A OD2 no hydrogen 2.964 N/A THR 333.A OG1 LYS 328.A O no hydrogen 3.077 N/A THR 333.A OG1 ASP 330.A O no hydrogen 3.077 N/A THR 333.A OG1 ASP 330.A OD2 no hydrogen 3.148 N/A VAL 334.A N ASP 330.A O no hydrogen 2.931 N/A ASP 335.A N ARG 331.A O no hydrogen 3.021 N/A LEU 336.A N SER 332.A O no hydrogen 2.979 N/A ILE 337.A N THR 333.A O no hydrogen 2.903 N/A LYS 338.A N VAL 334.A O no hydrogen 2.887 N/A HIS 339.A N LEU 336.A O no hydrogen 3.125 N/A