Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kpu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ ARG 120.A O no hydrogen 2.967 N/A LEU 5.A N THR 2.A O no hydrogen 3.186 N/A LYS 6.A N GLU 159.A O no hydrogen 2.740 N/A THR 7.A N GLU 10.A OE2 no hydrogen 2.860 N/A THR 7.A OG1 ASN 9.A OD1 no hydrogen 3.448 N/A GLY 8.A N GLU 10.A OE1 no hydrogen 2.894 N/A ASN 9.A N THR 7.A OG1 no hydrogen 2.973 N/A LYS 11.A N GLN 98.A O no hydrogen 3.075 N/A LYS 11.A NZ ASP 12.A OD1 no hydrogen 2.780 N/A ASP 12.A N GLN 44.A OE1 no hydrogen 2.710 N/A LEU 13.A N LYS 45.A O no hydrogen 3.004 N/A TRP 14.A N SER 101.A O no hydrogen 2.852 N/A VAL 15.A N ALA 47.A O no hydrogen 2.789 N/A TYR 16.A N PHE 103.A O no hydrogen 3.044 N/A VAL 17.A N VAL 49.A O no hydrogen 2.867 N/A HIS 19.A NE2 ILE 51.A O no hydrogen 2.721 N/A TYR 20.A N GLU 23.A O no hydrogen 2.867 N/A LYS 21.A NZ GLU 205.A OE1 no hydrogen 2.973 N/A GLU 23.A N TYR 20.A O no hydrogen 3.021 N/A VAL 25.A N GLU 18.A O no hydrogen 2.986 N/A VAL 28.A N VAL 25.A O no hydrogen 2.986 N/A GLU 30.A N HIS 26.A O no hydrogen 3.111 N/A LEU 31.A N VAL 27.A O no hydrogen 2.923 N/A LEU 32.A N VAL 28.A O no hydrogen 2.895 N/A GLY 33.A N TYR 29.A O no hydrogen 2.985 N/A GLU 34.A N GLU 30.A O no hydrogen 3.073 N/A CYS 35.A N LEU 31.A O no hydrogen 2.792 N/A ARG 36.A N LEU 32.A O no hydrogen 2.883 N/A ARG 36.A NE ARG 36.A O no hydrogen 3.310 N/A ARG 36.A NE ASP 40.A OD1 no hydrogen 3.279 N/A ARG 36.A NH1 ASP 40.A OD1 no hydrogen 3.038 N/A ARG 36.A NH1 ASP 68.A OD2 no hydrogen 3.088 N/A ARG 36.A NH2 GLY 66.A O no hydrogen 2.761 N/A ARG 36.A NH2 ASP 68.A OD1 no hydrogen 3.149 N/A ARG 36.A NH2 ASP 68.A OD2 no hydrogen 3.028 N/A LYS 37.A NZ GLU 34.A OE1 no hydrogen 3.275 N/A LEU 38.A N GLU 34.A O no hydrogen 3.202 N/A ALA 39.A N CYS 35.A O no hydrogen 2.821 N/A ASP 40.A N ARG 36.A O no hydrogen 2.960 N/A LYS 41.A N LYS 37.A O no hydrogen 3.080 N/A LYS 41.A NZ ASP 133.A OD1 no hydrogen 2.940 N/A CYS 42.A N LEU 38.A O no hydrogen 3.269 N/A CYS 42.A N ALA 39.A O no hydrogen 3.268 N/A CYS 42.A SG LEU 38.A O no hydrogen 3.470 N/A CYS 42.A SG ALA 39.A O no hydrogen 3.806 N/A ASN 43.A N.A ASP 40.A O no hydrogen 3.325 N/A ASN 43.A N.B ASP 40.A O no hydrogen 3.379 N/A GLN 44.A N ALA 39.A O no hydrogen 3.144 N/A LYS 45.A N ASP 12.A OD1 no hydrogen 2.924 N/A LEU 46.A N ASP 68.A OD2 no hydrogen 2.979 N/A ALA 47.A N LEU 13.A O no hydrogen 2.771 N/A ALA 48.A N LEU 69.A O no hydrogen 2.880 N/A VAL 49.A N VAL 15.A O no hydrogen 2.887 N/A LEU 50.A N TYR 71.A O no hydrogen 2.782 N/A THR 52.A N CYS 73.A O no hydrogen 3.126 N/A THR 52.A OG1 ASP 53.A OD1 no hydrogen 3.431 N/A THR 52.A OG1 ASP 54.A O no hydrogen 3.454 N/A ASP 54.A N THR 52.A OG1 no hydrogen 3.170 N/A ALA 55.A N GLN 74.A OE1.A no hydrogen 2.810 N/A LYS 56.A N ASP 54.A OD1 no hydrogen 3.149 N/A LYS 56.A NZ LYS 21.A O no hydrogen 3.563 N/A LYS 56.A NZ GLU 23.A OE2 no hydrogen 3.458 N/A VAL 58.A N ALA 55.A O no hydrogen 2.933 N/A SER 60.A OG.B ASP 57.A O no hydrogen 2.860 N/A LYS 61.A N ASP 57.A O no hydrogen 3.399 N/A LYS 61.A NZ GLU 23.A OE1 no hydrogen 2.858 N/A LYS 61.A NZ GLU 23.A OE2 no hydrogen 3.146 N/A LYS 61.A NZ ASP 57.A OD1 no hydrogen 3.330 N/A LEU 62.A N VAL 58.A O no hydrogen 2.994 N/A ILE 63.A N PRO 59.A O no hydrogen 3.094 N/A ALA 64.A N SER 60.A O.A no hydrogen 3.017 N/A ALA 64.A N SER 60.A O.B no hydrogen 2.983 N/A ARG 65.A N LYS 61.A O no hydrogen 3.078 N/A ARG 65.A N LEU 62.A O no hydrogen 3.124 N/A ARG 65.A NH1 MET 175.A O no hydrogen 2.924 N/A GLY 66.A N ILE 63.A O no hydrogen 3.056 N/A ALA 67.A N LEU 62.A O no hydrogen 3.078 N/A ASP 68.A N LEU 46.A O no hydrogen 2.749 N/A LEU 69.A N LEU 46.A O no hydrogen 3.223 N/A VAL 70.A N GLU 184.A O no hydrogen 2.871 N/A TYR 71.A N ALA 48.A O no hydrogen 2.914 N/A VAL 72.A N ILE 186.A O no hydrogen 2.850 N/A CYS 73.A N LEU 50.A O no hydrogen 2.865 N/A CYS 73.A SG TYR 188.A O no hydrogen 3.678 N/A ASP 75.A N THR 52.A O no hydrogen 3.063 N/A ALA 77.A N ASP 75.A OD1 no hydrogen 2.930 N/A PHE 78.A N ASP 75.A O no hydrogen 3.046 N/A LYS 79.A N PRO 76.A O no hydrogen 3.433 N/A TYR 81.A OH ASP 112.A OD1 no hydrogen 2.676 N/A SER 82.A OG ASP 196.A OD2 no hydrogen 3.179 N/A THR 83.A OG1 ASP 112.A OD1 no hydrogen 2.620 N/A GLU 85.A N SER 82.A OG no hydrogen 3.088 N/A TYR 86.A N SER 82.A O no hydrogen 2.928 N/A TYR 86.A OH HIS 19.A NE2 no hydrogen 3.133 N/A TYR 86.A OH ILE 51.A O no hydrogen 3.244 N/A TYR 86.A OH PHE 78.A O no hydrogen 2.665 N/A THR 87.A N THR 83.A O no hydrogen 2.911 N/A THR 87.A OG1 THR 83.A O no hydrogen 2.677 N/A ASN 88.A N ASP 84.A O no hydrogen 3.303 N/A ASN 88.A ND2 ASN 192.A O no hydrogen 2.895 N/A ALA 89.A N GLU 85.A O no hydrogen 3.097 N/A PHE 90.A N TYR 86.A O no hydrogen 2.958 N/A CYS 91.A N THR 87.A O no hydrogen 2.916 N/A CYS 91.A SG THR 87.A O no hydrogen 3.301 N/A GLU 92.A N ASN 88.A O no hydrogen 2.888 N/A MET 93.A N ALA 89.A O no hydrogen 3.103 N/A ILE 94.A N PHE 90.A O no hydrogen 2.977 N/A ASP 95.A N CYS 91.A O no hydrogen 2.998 N/A GLU 96.A N GLU 92.A O no hydrogen 2.931 N/A TYR 97.A N MET 93.A O no hydrogen 2.885 N/A GLN 98.A N ILE 94.A O no hydrogen 2.855 N/A GLN 98.A NE2 ILE 94.A O no hydrogen 2.925 N/A GLN 98.A NE2 ASP 95.A O no hydrogen 3.406 N/A SER 100.A N ASP 12.A O no hydrogen 2.828 N/A SER 101.A N ASP 12.A O no hydrogen 3.260 N/A VAL 102.A N GLN 163.A O no hydrogen 2.873 N/A PHE 103.A N TRP 14.A O no hydrogen 2.847 N/A ILE 104.A N GLY 165.A O no hydrogen 2.983 N/A ALA 106.A N VAL 167.A O no hydrogen 2.780 N/A THR 107.A OG1 GLU 18.A OE1 no hydrogen 2.575 N/A THR 107.A OG1 GLU 18.A OE2 no hydrogen 3.543 N/A THR 107.A OG1 GLY 105.A O no hydrogen 3.504 N/A GLY 110.A N THR 107.A OG1 no hydrogen 2.934 N/A ARG 111.A N THR 107.A O no hydrogen 2.886 N/A ASP 112.A N ASP 109.A O no hydrogen 3.069 N/A LEU 113.A N ASP 109.A O no hydrogen 2.969 N/A GLY 114.A N GLY 110.A O no hydrogen 2.926 N/A ILE 117.A N LEU 113.A O no hydrogen 3.003 N/A ALA 118.A N GLY 114.A O no hydrogen 2.945 N/A ALA 119.A N PRO 115.A O no hydrogen 2.999 N/A ARG 120.A N ARG 116.A O no hydrogen 3.033 N/A VAL 121.A N ILE 117.A O no hydrogen 2.951 N/A ASN 122.A N ALA 118.A O no hydrogen 2.796 N/A ASN 122.A ND2 LYS 3.A O no hydrogen 3.038 N/A THR 123.A N ALA 118.A O no hydrogen 2.962 N/A THR 123.A OG1 PRO 162.A O no hydrogen 2.732 N/A GLY 124.A N THR 123.A OG1 no hydrogen 2.742 N/A CYS 126.A N MET 164.A O no hydrogen 3.017 N/A ASP 128.A N THR 166.A OG1 no hydrogen 2.839 N/A CYS 129.A N THR 166.A O no hydrogen 2.876 N/A CYS 129.A SG THR 166.A O no hydrogen 3.593 N/A THR 130.A N THR 143.A O no hydrogen 2.947 N/A ILE 131.A N THR 143.A O no hydrogen 3.100 N/A ASP 133.A N GLU 141.A O no hydrogen 3.116 N/A ALA 134.A N ASP 133.A OD1 no hydrogen 2.820 N/A GLU 135.A N.A LEU 139.A O no hydrogen 2.947 N/A GLU 135.A N.B LEU 139.A O no hydrogen 2.923 N/A GLY 138.A N GLU 135.A O.A no hydrogen 2.961 N/A GLY 138.A N GLU 135.A O.B no hydrogen 2.817 N/A LEU 139.A N ASP 137.A OD1 no hydrogen 2.969 N/A ILE 140.A N GLN 163.A OE1 no hydrogen 2.837 N/A GLU 141.A N ASP 133.A O no hydrogen 2.842 N/A TRP 142.A N ILE 155.A O no hydrogen 3.086 N/A THR 143.A N ILE 131.A O no hydrogen 2.889 N/A THR 143.A OG1 THR 154.A OG1 no hydrogen 2.833 N/A ARG 144.A N ALA 153.A O no hydrogen 2.941 N/A ARG 144.A NE ALA 127.A O no hydrogen 2.719 N/A ALA 146.A N ILE 151.A O no hydrogen 2.778 N/A GLY 149.A N ALA 146.A O no hydrogen 3.001 N/A ASN 150.A N ALA 147.A O no hydrogen 3.124 N/A ASN 150.A ND2 ALA 147.A O no hydrogen 2.944 N/A ILE 151.A N ALA 146.A O no hydrogen 3.237 N/A ALA 153.A N ARG 144.A O no hydrogen 2.886 N/A THR 154.A OG1 THR 143.A OG1 no hydrogen 2.833 N/A ILE 155.A N TRP 142.A O no hydrogen 2.810 N/A CYS 157.A SG HIS 160.A O no hydrogen 3.450 N/A ARG 161.A N GLY 4.A O no hydrogen 2.943 N/A ARG 161.A NH1 CYS 157.A O no hydrogen 2.957 N/A ARG 161.A NH1 HIS 160.A O no hydrogen 2.815 N/A ARG 161.A NH2 LYS 158.A O no hydrogen 3.353 N/A GLN 163.A N SER 100.A O no hydrogen 2.825 N/A GLN 163.A NE2 SER 100.A O no hydrogen 3.201 N/A GLN 163.A NE2 GLY 138.A O no hydrogen 3.011 N/A MET 164.A N GLY 124.A O no hydrogen 3.128 N/A GLY 165.A N VAL 102.A O no hydrogen 2.963 N/A THR 166.A N CYS 126.A O no hydrogen 2.904 N/A VAL 167.A N ILE 104.A O no hydrogen 2.835 N/A ARG 168.A N CYS 129.A O no hydrogen 2.860 N/A ARG 168.A NE ASP 128.A OD1 no hydrogen 3.249 N/A ARG 168.A NE ASP 128.A OD2 no hydrogen 3.288 N/A ARG 168.A NH2 ASP 128.A OD2 no hydrogen 2.912 N/A LYS 170.A N GLU 30.A OE1 no hydrogen 2.746 N/A LYS 170.A NZ ASP 215.A O no hydrogen 2.565 N/A LYS 170.A NZ THR 271.A O no hydrogen 2.856 N/A THR 171.A OG1 ARG 168.A O no hydrogen 3.159 N/A THR 171.A OG1 PRO 169.A O no hydrogen 3.433 N/A ASP 178.A N ALA 64.A O no hydrogen 2.859 N/A SER 180.A N.A ASP 178.A OD1 no hydrogen 2.921 N/A SER 180.A N.B ASP 178.A OD1 no hydrogen 2.898 N/A SER 180.A OG.A ASP 178.A OD1 no hydrogen 3.349 N/A SER 180.A OG.B ASP 178.A OD1 no hydrogen 2.584 N/A SER 180.A OG.B ASP 178.A OD2 no hydrogen 3.190 N/A ARG 181.A N ASP 178.A O no hydrogen 3.193 N/A ARG 181.A NE ILE 63.A O no hydrogen 2.962 N/A ARG 181.A NH2 ALA 67.A O no hydrogen 3.038 N/A ARG 181.A NH2 ASP 68.A OD1 no hydrogen 3.194 N/A GLU 184.A N ASP 68.A O no hydrogen 3.019 N/A ILE 186.A N VAL 70.A O no hydrogen 2.769 N/A TYR 188.A N VAL 72.A O no hydrogen 2.862 N/A TYR 188.A OH GLU 92.A OE1 no hydrogen 2.726 N/A LYS 191.A N GLU 92.A OE1 no hydrogen 2.710 N/A LYS 191.A NZ GLU 96.A OE1 no hydrogen 2.853 N/A ASN 192.A N GLU 92.A OE2 no hydrogen 2.920 N/A ARG 197.A N ASP 84.A OD2 no hydrogen 2.974 N/A ARG 197.A NE ASP 84.A OD2 no hydrogen 2.893 N/A ARG 197.A NH2 ASP 84.A OD1 no hydrogen 2.907 N/A VAL 198.A N ASP 196.A OD1 no hydrogen 2.964 N/A CYS 200.A SG ARG 202.A O no hydrogen 3.160 N/A ARG 202.A NH1 GLU 204.A OE1 no hydrogen 2.845 N/A SER 208.A OG GLU 211.A OE2 no hydrogen 2.681 N/A GLU 211.A N SER 208.A O no hydrogen 3.199 N/A ALA 217.A N ILE 214.A O no hydrogen 3.329 N/A VAL 220.A N ILE 276.A O no hydrogen 2.982 N/A CYS 221.A N ALA 246.A O no hydrogen 2.784 N/A SER 222.A N.A PHE 278.A O no hydrogen 2.792 N/A SER 222.A N.B PHE 278.A O no hydrogen 2.846 N/A SER 222.A OG.A TYR 277.A OH no hydrogen 2.878 N/A SER 222.A OG.B TYR 277.A OH no hydrogen 3.090 N/A GLY 223.A N GLY 248.A O no hydrogen 3.001 N/A GLY 224.A N CYS 280.A O no hydrogen 3.060 N/A ARG 225.A NE GLU 256.A OE2 no hydrogen 2.952 N/A ARG 225.A NH2 GLU 256.A OE2 no hydrogen 3.179 N/A GLY 226.A N GLY 281.A O no hydrogen 2.956 N/A MET 227.A N GLY 224.A O no hydrogen 3.027 N/A LYS 228.A N ARG 225.A O no hydrogen 3.084 N/A ALA 229.A N MET 227.A O no hydrogen 2.908 N/A ASN 232.A N ALA 229.A O no hydrogen 3.039 N/A ASN 232.A ND2 MET 227.A O no hydrogen 2.923 N/A PHE 233.A N LYS 230.A O no hydrogen 3.012 N/A SER 234.A N GLU 231.A O no hydrogen 3.116 N/A SER 234.A OG GLU 231.A O no hydrogen 3.120 N/A LEU 235.A N ASN 232.A O no hydrogen 3.037 N/A TYR 237.A N PHE 233.A O no hydrogen 3.016 N/A ASP 238.A N SER 234.A O no hydrogen 2.871 N/A LEU 239.A N LEU 235.A O no hydrogen 3.138 N/A ALA 240.A N LEU 236.A O no hydrogen 2.867 N/A HIS 241.A N TYR 237.A O no hydrogen 2.854 N/A ALA 242.A N ASP 238.A O no hydrogen 3.012 N/A LEU 243.A N LEU 239.A O no hydrogen 3.137 N/A GLY 245.A N ALA 240.A O no hydrogen 2.730 N/A ALA 246.A N PHE 219.A O no hydrogen 2.910 N/A GLY 248.A N CYS 221.A O no hydrogen 3.005 N/A GLY 249.A N ARG 263.A O no hydrogen 2.955 N/A SER 250.A N GLY 223.A O no hydrogen 3.029 N/A ALA 253.A N SER 250.A OG no hydrogen 3.131 N/A VAL 254.A N SER 250.A O no hydrogen 3.138 N/A ASP 255.A N ARG 251.A O no hydrogen 2.947 N/A GLU 256.A N ALA 252.A O no hydrogen 2.889 N/A GLY 257.A N VAL 254.A O no hydrogen 3.029 N/A PHE 258.A N ALA 253.A O no hydrogen 2.822 N/A ARG 263.A N GLU 260.A O no hydrogen 2.993 N/A ARG 263.A NH1 VAL 247.A O no hydrogen 2.837 N/A GLN 264.A N HIS 261.A O no hydrogen 2.940 N/A VAL 265.A N GLY 249.A O no hydrogen 2.908 N/A GLY 266.A N LYS 270.A O no hydrogen 2.950 N/A GLN 267.A N GLN 287.A O no hydrogen 2.882 N/A GLY 269.A N GLY 266.A O no hydrogen 2.928 N/A LYS 270.A N GLN 264.A O no hydrogen 2.944 N/A LYS 270.A NZ ASP 215.A OD1 no hydrogen 2.992 N/A LYS 270.A NZ PRO 262.A O no hydrogen 2.890 N/A VAL 272.A N GLY 291.A O no hydrogen 2.753 N/A LYS 275.A N PRO 218.A O no hydrogen 2.733 N/A TYR 277.A N THR 297.A O no hydrogen 2.887 N/A TYR 277.A OH HIS 288.A NE2 no hydrogen 2.734 N/A PHE 278.A N VAL 220.A O no hydrogen 2.844 N/A ALA 279.A N VAL 299.A O no hydrogen 2.880 N/A CYS 280.A N SER 222.A O.A no hydrogen 2.851 N/A CYS 280.A N SER 222.A O.B no hydrogen 3.110 N/A GLY 281.A N ILE 301.A O no hydrogen 3.014 N/A GLN 287.A N GLN 287.A OE1 no hydrogen 2.873 N/A HIS 288.A N SER 285.A OG no hydrogen 3.126 N/A HIS 288.A NE2 TYR 277.A OH no hydrogen 2.734 N/A LYS 289.A N SER 285.A O no hydrogen 2.962 N/A LYS 289.A NZ PRO 308.A O no hydrogen 3.130 N/A ALA 290.A N VAL 286.A O no hydrogen 3.042 N/A GLY 291.A N HIS 288.A O no hydrogen 2.894 N/A MET 292.A N LYS 289.A O no hydrogen 3.002 N/A SER 293.A N LYS 289.A O no hydrogen 2.988 N/A SER 293.A OG LYS 289.A O no hydrogen 3.472 N/A SER 295.A N MET 292.A O no hydrogen 3.096 N/A SER 295.A OG MET 292.A O no hydrogen 2.790 N/A ASP 296.A N PRO 274.A O no hydrogen 2.896 N/A THR 297.A N LYS 275.A O no hydrogen 3.029 N/A VAL 299.A N TYR 277.A O no hydrogen 2.903 N/A CYS 300.A N TYR 315.A O no hydrogen 3.016 N/A ILE 301.A N ALA 279.A O no hydrogen 2.921 N/A ASN 302.A N ILE 317.A O no hydrogen 3.192 N/A ASN 302.A ND2 ILE 282.A O no hydrogen 3.107 N/A ASP 304.A N ASN 302.A OD1 no hydrogen 2.876 N/A ASP 306.A N ASP 304.A OD1 no hydrogen 2.829 N/A ALA 307.A N ASP 304.A O no hydrogen 3.012 N/A MET 309.A N SER 283.A O no hydrogen 2.902 N/A PHE 310.A N ALA 307.A O no hydrogen 3.047 N/A GLU 311.A N PRO 308.A O no hydrogen 3.015 N/A ILE 312.A N MET 309.A O no hydrogen 3.199 N/A SER 313.A N PHE 310.A O no hydrogen 3.116 N/A SER 313.A OG MET 309.A O no hydrogen 2.801 N/A TYR 315.A N ILE 298.A O no hydrogen 3.505 N/A ILE 317.A N CYS 300.A O no hydrogen 2.788 N/A GLY 319.A N ASN 302.A O no hydrogen 3.132 N/A LEU 322.A N ASP 320.A OD1 no hydrogen 2.922 N/A LYS 323.A N ASP 320.A O no hydrogen 2.884 N/A ILE 324.A N.A ASP 320.A O no hydrogen 2.877 N/A ILE 324.A N.B ASP 320.A O no hydrogen 2.876 N/A LEU 325.A N ALA 321.A O no hydrogen 2.928 N/A LEU 328.A N ILE 324.A O.A no hydrogen 2.902 N/A LEU 328.A N ILE 324.A O.B no hydrogen 2.959 N/A THR 329.A N LEU 325.A O no hydrogen 2.905 N/A THR 329.A OG1 LEU 325.A O no hydrogen 3.096 N/A ALA 330.A N PRO 326.A O no hydrogen 3.017 N/A LYS 331.A N LEU 327.A O no hydrogen 2.994 N/A ILE 332.A N.A LEU 328.A O no hydrogen 2.908 N/A ILE 332.A N.B LEU 328.A O no hydrogen 2.910 N/A LYS 333.A N THR 329.A O no hydrogen 2.892 N/A ALA 334.A N ALA 330.A O no hydrogen 2.990 N/A PHE 335.A N LYS 331.A O no hydrogen 2.967 N/A LYS 336.A N ILE 332.A O.A no hydrogen 2.991 N/A LYS 336.A N ILE 332.A O.B no hydrogen 2.917 N/A GLU 337.A N LYS 333.A O no hydrogen 3.024 N/A