Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jnk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N THR 2.A OG1 no hydrogen 3.093 N/A GLN 6.A N THR 2.A O no hydrogen 2.979 N/A GLN 6.A NE2.A ALA 1.A O no hydrogen 2.896 N/A GLN 6.A NE2.A THR 2.A O no hydrogen 3.536 N/A LEU 7.A N LEU 3.A O no hydrogen 2.826 N/A ILE 8.A N LYS 4.A O no hydrogen 2.742 N/A ASN 10.A ND2 LEU 12.A O no hydrogen 2.977 N/A GLN 19.A NE2 THR 17.A O no hydrogen 2.524 N/A ASN 20.A N ASP 45.A OD1 no hydrogen 2.826 N/A LYS 21.A NZ GLU 46.A OE2 no hydrogen 2.901 N/A LYS 21.A NZ VAL 84.A O no hydrogen 2.773 N/A LYS 21.A NZ ALA 86.A O no hydrogen 2.932 N/A ILE 22.A N GLU 46.A O no hydrogen 2.972 N/A THR 23.A N LEU 90.A O no hydrogen 2.922 N/A THR 23.A OG1 SER 88.A OG no hydrogen 2.730 N/A VAL 24.A N ALA 48.A O no hydrogen 2.837 N/A VAL 25.A N ILE 92.A O no hydrogen 2.817 N/A GLY 26.A N VAL 50.A O no hydrogen 2.651 N/A VAL 27.A N ASP 51.A OD2 no hydrogen 2.825 N/A MET 32.A N GLY 28.A O no hydrogen 3.038 N/A ALA 33.A N ALA 29.A O no hydrogen 3.208 N/A CYS 34.A N VAL 30.A O no hydrogen 2.953 N/A CYS 34.A SG VAL 30.A O no hydrogen 3.282 N/A ALA 35.A N GLY 31.A O no hydrogen 2.868 N/A ILE 36.A N MET 32.A O no hydrogen 2.908 N/A SER 37.A N ALA 33.A O no hydrogen 3.045 N/A SER 37.A OG ALA 33.A O no hydrogen 3.023 N/A ILE 38.A N CYS 34.A O no hydrogen 2.842 N/A LEU 39.A N ALA 35.A O no hydrogen 2.865 N/A MET 40.A N ILE 36.A O no hydrogen 2.913 N/A LYS 41.A N SER 37.A O no hydrogen 3.240 N/A LYS 41.A N ILE 38.A O no hydrogen 3.266 N/A LYS 41.A NZ GLU 255.A OE1 no hydrogen 2.787 N/A ASP 42.A N LEU 39.A O no hydrogen 3.254 N/A ASP 45.A N ASN 20.A O no hydrogen 3.072 N/A LEU 47.A N LYS 75.A O no hydrogen 2.922 N/A ALA 48.A N ILE 22.A O no hydrogen 2.961 N/A LEU 49.A N VAL 77.A O no hydrogen 2.840 N/A VAL 50.A N VAL 24.A O no hydrogen 3.043 N/A VAL 52.A N ASP 51.A OD1 no hydrogen 2.672 N/A ILE 53.A N ASP 51.A OD1 no hydrogen 2.940 N/A LYS 56.A N ASP 55.A OD1.A no hydrogen 2.630 N/A LYS 56.A NZ GLU 60.A OE2 no hydrogen 2.616 N/A LEU 57.A N ILE 53.A O no hydrogen 3.048 N/A LYS 58.A N GLU 54.A O no hydrogen 3.090 N/A GLY 59.A N ASP 55.A O no hydrogen 2.881 N/A GLU 60.A N LYS 56.A O no hydrogen 2.889 N/A MET 61.A N LEU 57.A O no hydrogen 3.067 N/A MET 62.A N LYS 58.A O no hydrogen 2.917 N/A ASP 63.A N GLY 59.A O no hydrogen 2.954 N/A LEU 64.A N GLU 60.A O no hydrogen 3.094 N/A GLN 65.A N MET 61.A O no hydrogen 2.921 N/A GLN 65.A NE2 ILE 76.A O no hydrogen 3.025 N/A HIS 66.A N MET 62.A O no hydrogen 2.886 N/A GLY 67.A N LEU 64.A O no hydrogen 2.873 N/A SER 68.A N GLN 65.A O no hydrogen 2.986 N/A SER 68.A OG GLN 65.A O no hydrogen 2.667 N/A PHE 70.A N GLY 67.A O no hydrogen 2.892 N/A LEU 71.A N SER 68.A O no hydrogen 3.033 N/A THR 73.A OG1 ALA 44.A O no hydrogen 3.188 N/A VAL 77.A N LEU 47.A O no hydrogen 2.879 N/A GLY 79.A N LEU 49.A O no hydrogen 3.061 N/A LYS 80.A NZ GLU 54.A OE1 no hydrogen 3.221 N/A ASN 83.A N ASP 81.A OD1 no hydrogen 2.971 N/A VAL 84.A N ASP 81.A O no hydrogen 3.418 N/A THR 85.A N TYR 82.A O no hydrogen 2.862 N/A THR 85.A OG1 TYR 82.A O no hydrogen 2.661 N/A ALA 86.A N ASN 83.A O no hydrogen 3.367 N/A ASN 87.A N TYR 121.A O no hydrogen 3.037 N/A SER 88.A N SER 122.A OG no hydrogen 2.990 N/A SER 88.A OG THR 23.A OG1 no hydrogen 2.730 N/A SER 88.A OG THR 85.A O no hydrogen 2.592 N/A LYS 89.A N LYS 21.A O no hydrogen 2.816 N/A LEU 90.A N LYS 21.A O no hydrogen 3.498 N/A VAL 91.A N LYS 126.A O no hydrogen 2.923 N/A ILE 92.A N THR 23.A O no hydrogen 2.826 N/A ILE 93.A N LEU 128.A O no hydrogen 2.879 N/A THR 94.A N VAL 25.A O no hydrogen 2.920 N/A THR 94.A OG1 VAL 25.A O no hydrogen 2.926 N/A ALA 97.A N ASN 107.A OD1 no hydrogen 2.803 N/A VAL 104.A N ARG 100.A O no hydrogen 2.916 N/A GLN 105.A N LEU 101.A O no hydrogen 2.972 N/A GLN 105.A NE2 GLN 105.A O no hydrogen 3.268 N/A GLN 105.A NE2 ASN 109.A OD1 no hydrogen 3.045 N/A GLN 105.A NE2 GLN 325.A O no hydrogen 3.445 N/A ARG 106.A N ASN 102.A O no hydrogen 3.001 N/A ASN 107.A N LEU 103.A O no hydrogen 2.977 N/A ASN 107.A ND2 ALA 97.A O no hydrogen 3.246 N/A ASN 107.A ND2 ASN 132.A O no hydrogen 2.679 N/A VAL 108.A N VAL 104.A O no hydrogen 2.795 N/A ASN 109.A N GLN 105.A O no hydrogen 2.892 N/A ILE 110.A N ARG 106.A O no hydrogen 3.129 N/A PHE 111.A N ASN 107.A O no hydrogen 2.950 N/A LYS 112.A N VAL 108.A O no hydrogen 2.940 N/A LYS 112.A NZ PHE 326.A OXT no hydrogen 3.182 N/A PHE 113.A N ILE 110.A O no hydrogen 3.110 N/A ILE 114.A N ILE 110.A O no hydrogen 3.044 N/A ILE 115.A N PHE 111.A O no hydrogen 2.880 N/A ASN 117.A ND2 PHE 113.A O no hydrogen 3.115 N/A VAL 118.A N ILE 114.A O no hydrogen 2.965 N/A VAL 119.A N ILE 115.A O no hydrogen 2.956 N/A LYS 120.A N PRO 116.A O no hydrogen 2.951 N/A LYS 120.A NZ TYR 121.A OH no hydrogen 3.521 N/A TYR 121.A N VAL 118.A O no hydrogen 3.259 N/A SER 122.A N VAL 118.A O no hydrogen 2.922 N/A CYS 125.A N SER 122.A O no hydrogen 3.197 N/A CYS 125.A SG SER 122.A O no hydrogen 3.393 N/A CYS 125.A SG LYS 126.A O no hydrogen 3.740 N/A LYS 126.A N LYS 89.A O no hydrogen 2.919 N/A LYS 126.A NZ LYS 89.A O no hydrogen 3.391 N/A LYS 126.A NZ GLN 291.A O no hydrogen 3.009 N/A LEU 127.A N ARG 151.A O no hydrogen 2.815 N/A LEU 128.A N VAL 91.A O no hydrogen 2.881 N/A ILE 129.A N ILE 153.A O no hydrogen 2.746 N/A VAL 130.A N ILE 93.A O no hydrogen 2.820 N/A SER 131.A N ILE 93.A O no hydrogen 3.202 N/A SER 131.A OG ILE 93.A O no hydrogen 3.253 N/A SER 131.A OG ALA 95.A O no hydrogen 2.568 N/A VAL 134.A N ASN 132.A OD1 no hydrogen 3.003 N/A LEU 137.A N PRO 133.A O no hydrogen 2.862 N/A THR 138.A N VAL 134.A O no hydrogen 2.837 N/A THR 138.A OG1 VAL 134.A O no hydrogen 2.680 N/A TYR 139.A N ASP 135.A O no hydrogen 3.323 N/A VAL 140.A N ILE 136.A O no hydrogen 3.013 N/A ALA 141.A N LEU 137.A O no hydrogen 2.850 N/A TRP 142.A N THR 138.A O no hydrogen 2.949 N/A LYS 143.A N TYR 139.A O no hydrogen 2.861 N/A ILE 144.A N VAL 140.A O no hydrogen 2.852 N/A SER 145.A N ALA 141.A O no hydrogen 2.903 N/A SER 145.A OG ALA 141.A O no hydrogen 2.839 N/A SER 145.A OG TRP 142.A O no hydrogen 3.225 N/A GLY 146.A N TRP 142.A O no hydrogen 3.072 N/A PHE 147.A N SER 145.A OG no hydrogen 2.923 N/A ASN 150.A ND2 ASN 292.A O no hydrogen 2.870 N/A ARG 151.A N PRO 148.A O no hydrogen 2.981 N/A ARG 151.A NH1 PRO 123.A O no hydrogen 3.017 N/A ARG 151.A NH1 CYS 125.A O no hydrogen 2.850 N/A VAL 152.A N LYS 149.A O no hydrogen 3.275 N/A ILE 153.A N LEU 127.A O no hydrogen 2.892 N/A GLY 154.A N SER 268.A O no hydrogen 3.085 N/A SER 155.A N ILE 129.A O no hydrogen 2.914 N/A CYS 157.A N SER 284.A OG no hydrogen 2.819 N/A CYS 157.A SG GLY 185.A O no hydrogen 3.720 N/A CYS 157.A SG GLU 186.A O no hydrogen 3.519 N/A ASN 158.A N SER 155.A O no hydrogen 3.157 N/A ASN 158.A ND2 SER 249.A O no hydrogen 3.317 N/A ASN 158.A ND2 SER 249.A OG.B no hydrogen 2.801 N/A SER 161.A N CYS 157.A O no hydrogen 2.905 N/A SER 161.A OG CYS 157.A O no hydrogen 3.111 N/A ALA 162.A N ASN 158.A O no hydrogen 3.105 N/A ARG 163.A N LEU 159.A O no hydrogen 2.918 N/A PHE 164.A N ASP 160.A O no hydrogen 2.976 N/A ARG 165.A N SER 161.A O no hydrogen 2.959 N/A ARG 165.A NE PRO 176.A O no hydrogen 3.389 N/A ARG 165.A NE CYS 179.A O no hydrogen 2.888 N/A ARG 165.A NH2 PRO 176.A O no hydrogen 3.334 N/A ARG 165.A NH2 LEU 177.A O no hydrogen 3.296 N/A TYR 166.A N ALA 162.A O no hydrogen 2.873 N/A LEU 167.A N ARG 163.A O no hydrogen 2.922 N/A MET 168.A N PHE 164.A O no hydrogen 2.891 N/A GLY 169.A N ARG 165.A O no hydrogen 2.949 N/A GLU 170.A N TYR 166.A O no hydrogen 3.003 N/A ARG 171.A N LEU 167.A O no hydrogen 3.034 N/A ARG 171.A NH1 GLU 219.A O no hydrogen 3.207 N/A ARG 171.A NH2 GLN 220.A O no hydrogen 3.517 N/A LEU 172.A N MET 168.A O no hydrogen 2.970 N/A GLY 173.A N GLY 169.A O no hydrogen 2.753 N/A VAL 174.A N GLY 169.A O no hydrogen 3.132 N/A LEU 177.A N HIS 175.A ND1 no hydrogen 2.974 N/A SER 178.A N HIS 175.A O no hydrogen 2.883 N/A CYS 179.A N PRO 176.A O no hydrogen 3.067 N/A CYS 179.A SG VAL 174.A O no hydrogen 3.864 N/A CYS 179.A SG HIS 175.A O no hydrogen 3.687 N/A HIS 180.A N ASN 199.A O no hydrogen 3.013 N/A VAL 183.A N SER 161.A OG no hydrogen 2.958 N/A LEU 184.A N VAL 192.A O no hydrogen 2.886 N/A GLY 185.A N SER 284.A O no hydrogen 2.964 N/A HIS 187.A N ASP 135.A OD2 no hydrogen 2.949 N/A HIS 187.A ND1 ASP 160.A OD2 no hydrogen 2.669 N/A GLY 188.A N ASP 160.A OD1 no hydrogen 3.146 N/A SER 191.A N GLY 188.A O no hydrogen 3.159 N/A SER 191.A OG GLY 188.A O no hydrogen 3.327 N/A SER 191.A OG HIS 225.A NE2 no hydrogen 2.836 N/A VAL 192.A N LEU 184.A O no hydrogen 2.858 N/A VAL 194.A N TRP 182.A O no hydrogen 2.966 N/A GLY 197.A N VAL 194.A O no hydrogen 3.105 N/A MET 198.A N TRP 195.A O no hydrogen 3.232 N/A ASN 199.A N HIS 180.A O no hydrogen 2.960 N/A ASN 199.A ND2 GLY 197.A O no hydrogen 2.852 N/A VAL 200.A N VAL 203.A O no hydrogen 3.260 N/A GLY 202.A N ASN 199.A OD1 no hydrogen 3.049 N/A VAL 203.A N VAL 200.A O no hydrogen 2.771 N/A SER 204.A OG THR 207.A OG1 no hydrogen 3.220 N/A LEU 205.A N MET 198.A O no hydrogen 2.981 N/A LYS 206.A NZ PRO 210.A O no hydrogen 2.940 N/A LYS 206.A NZ LEU 212.A O no hydrogen 3.498 N/A THR 207.A N SER 204.A OG no hydrogen 2.980 N/A THR 207.A OG1 SER 204.A OG no hydrogen 3.220 N/A LEU 208.A N SER 204.A O no hydrogen 3.171 N/A HIS 209.A N LEU 205.A O no hydrogen 2.680 N/A HIS 209.A NE2 ASP 217.A OD1 no hydrogen 2.789 N/A LEU 212.A N HIS 209.A O no hydrogen 2.743 N/A GLY 213.A N ASP 217.A OD2 no hydrogen 3.281 N/A THR 214.A N ASP 211.A O no hydrogen 2.871 N/A THR 214.A OG1 ASP 211.A O no hydrogen 2.715 N/A ASP 217.A N THR 214.A O no hydrogen 3.365 N/A GLU 219.A N ASP 217.A OD1 no hydrogen 2.772 N/A GLN 220.A N ASP 217.A O no hydrogen 3.000 N/A GLN 220.A NE2 ASP 215.A O no hydrogen 2.997 N/A GLN 220.A NE2 ASP 217.A O no hydrogen 2.779 N/A TRP 221.A N ASP 217.A OD2 no hydrogen 2.994 N/A TRP 221.A NE1 GLU 219.A OE1 no hydrogen 3.024 N/A LYS 222.A NZ ASP 215.A OD1 no hydrogen 2.884 N/A GLU 223.A N GLN 220.A O no hydrogen 3.104 N/A VAL 224.A N TRP 221.A O no hydrogen 2.887 N/A HIS 225.A NE2 SER 191.A OG no hydrogen 2.836 N/A LYS 226.A N LYS 222.A O no hydrogen 3.007 N/A LYS 226.A NZ GLU 230.A OE2 no hydrogen 2.375 N/A GLN 227.A N GLU 223.A O no hydrogen 2.795 N/A VAL 228.A N VAL 224.A O no hydrogen 3.030 N/A VAL 229.A N HIS 225.A O no hydrogen 3.051 N/A GLU 230.A N LYS 226.A O no hydrogen 2.766 N/A SER 231.A N GLN 227.A O no hydrogen 2.644 N/A SER 231.A OG GLN 227.A O no hydrogen 2.903 N/A SER 231.A OG VAL 228.A O no hydrogen 3.472 N/A TYR 233.A OH ASP 189.A OD1 no hydrogen 2.591 N/A TYR 233.A OH ASP 189.A OD2 no hydrogen 3.074 N/A GLU 234.A N GLU 230.A O no hydrogen 2.920 N/A VAL 235.A N SER 231.A O no hydrogen 2.966 N/A ILE 236.A N ALA 232.A O no hydrogen 3.429 N/A LYS 237.A N TYR 233.A O no hydrogen 2.884 N/A LEU 238.A N GLU 234.A O no hydrogen 2.753 N/A LYS 239.A N VAL 235.A O no hydrogen 2.883 N/A LYS 239.A NZ SER 243.A OG no hydrogen 3.117 N/A GLY 247.A N SER 243.A O no hydrogen 2.928 N/A LEU 248.A N TRP 244.A O no hydrogen 3.003 N/A SER 249.A N ALA 245.A O no hydrogen 2.913 N/A SER 249.A OG.A ALA 245.A O no hydrogen 3.372 N/A SER 249.A OG.A ILE 246.A O no hydrogen 2.721 N/A VAL 250.A N ILE 246.A O no hydrogen 2.856 N/A ALA 251.A N GLY 247.A O no hydrogen 2.988 N/A ASP 252.A N LEU 248.A O no hydrogen 3.012 N/A LEU 253.A N SER 249.A O no hydrogen 3.151 N/A ALA 254.A N VAL 250.A O no hydrogen 2.834 N/A GLU 255.A N ALA 251.A O no hydrogen 2.835 N/A SER 256.A N ASP 252.A O no hydrogen 3.288 N/A SER 256.A OG HIS 265.A NE2 no hydrogen 2.679 N/A ILE 257.A N LEU 253.A O no hydrogen 3.068 N/A MET 258.A N ALA 254.A O no hydrogen 2.801 N/A LYS 259.A N GLU 255.A O no hydrogen 3.035 N/A ASN 260.A N ILE 257.A O no hydrogen 3.319 N/A LEU 261.A N SER 256.A O no hydrogen 2.957 N/A ARG 262.A NH1 SER 295.A OG no hydrogen 3.057 N/A ARG 262.A NH2 ASP 296.A OD2 no hydrogen 2.971 N/A ARG 263.A NE SER 256.A OG no hydrogen 2.823 N/A ARG 263.A NH1 ASP 252.A OD1 no hydrogen 2.994 N/A ARG 263.A NH1 SER 256.A OG no hydrogen 2.873 N/A ARG 263.A NH2 ASP 252.A OD1 no hydrogen 3.065 N/A HIS 265.A N CYS 287.A O no hydrogen 2.833 N/A HIS 265.A NE2 SER 256.A OG no hydrogen 2.679 N/A VAL 267.A N VAL 285.A O no hydrogen 3.331 N/A SER 268.A N GLY 154.A O no hydrogen 2.862 N/A SER 268.A OG.A ASP 135.A OD1 no hydrogen 2.696 N/A SER 268.A OG.B ASP 135.A OD1 no hydrogen 2.938 N/A THR 269.A N LEU 283.A O no hydrogen 3.076 N/A ILE 271.A N VAL 281.A O no hydrogen 2.922 N/A GLY 273.A N ILE 277.A O no hydrogen 2.950 N/A LEU 274.A N ILE 271.A O no hydrogen 3.020 N/A TYR 275.A OH VAL 300.A O no hydrogen 3.026 N/A ILE 277.A N LEU 274.A O no hydrogen 2.753 N/A LEU 283.A N THR 269.A O no hydrogen 3.133 N/A SER 284.A N GLY 185.A O no hydrogen 2.927 N/A VAL 285.A N VAL 267.A O no hydrogen 3.336 N/A CYS 287.A N HIS 265.A O no hydrogen 2.625 N/A CYS 287.A SG VAL 267.A O no hydrogen 4.018 N/A CYS 287.A SG VAL 285.A O no hydrogen 3.451 N/A ILE 288.A N ASP 296.A O no hydrogen 2.946 N/A LEU 289.A N ARG 263.A O no hydrogen 3.018 N/A GLY 290.A N GLY 293.A O no hydrogen 3.015 N/A GLN 291.A N ASN 260.A OD1 no hydrogen 2.843 N/A GLY 293.A N GLY 290.A O no hydrogen 2.943 N/A ILE 294.A N ASN 150.A O no hydrogen 2.844 N/A SER 295.A N ILE 288.A O no hydrogen 3.287 N/A SER 295.A OG ASP 296.A OD2 no hydrogen 2.686 N/A VAL 298.A N PRO 286.A O no hydrogen 2.835 N/A THR 303.A N GLU 306.A OE1 no hydrogen 2.925 N/A GLU 306.A N THR 303.A OG1 no hydrogen 3.117 N/A GLU 307.A N THR 303.A O no hydrogen 2.950 N/A ALA 308.A N SER 304.A O no hydrogen 2.932 N/A ARG 309.A N GLU 305.A O no hydrogen 3.044 N/A LEU 310.A N GLU 306.A O no hydrogen 3.199 N/A LYS 311.A N GLU 307.A O no hydrogen 2.965 N/A LYS 312.A N ALA 308.A O no hydrogen 2.871 N/A SER 313.A N ARG 309.A O no hydrogen 2.986 N/A SER 313.A OG GLU 186.A OE1 no hydrogen 2.692 N/A SER 313.A OG ARG 309.A O no hydrogen 3.260 N/A ALA 314.A N LEU 310.A O no hydrogen 2.876 N/A ASP 315.A N LYS 311.A O no hydrogen 2.960 N/A THR 316.A N LYS 312.A O no hydrogen 3.033 N/A THR 316.A OG1 LYS 312.A O no hydrogen 3.043 N/A LEU 317.A N SER 313.A O no hydrogen 2.812 N/A TRP 318.A N ALA 314.A O no hydrogen 2.797 N/A GLY 319.A N ASP 315.A O no hydrogen 2.924 N/A ILE 320.A N THR 316.A O no hydrogen 3.042 N/A GLN 321.A N LEU 317.A O no hydrogen 2.753 N/A LYS 322.A N TRP 318.A O no hydrogen 2.869 N/A GLU 323.A N ILE 320.A O no hydrogen 3.159 N/A LEU 324.A N GLN 321.A O no hydrogen 3.146 N/A GLN 325.A N GLN 105.A OE1 no hydrogen 3.244 N/A GLN 325.A NE2 PHE 326.A OXT no hydrogen 2.967 N/A