Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jqp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH ASP 116.A OD2 no hydrogen 2.607 N/A VAL 5.A N ASP 116.A OD2 no hydrogen 2.911 N/A ILE 6.A N ARG 35.A O no hydrogen 3.000 N/A GLY 7.A N ALA 117.A O no hydrogen 2.924 N/A ILE 8.A N LEU 37.A O no hydrogen 2.728 N/A THR 9.A N CYS 119.A O no hydrogen 3.006 N/A MET 10.A N ILE 39.A O no hydrogen 3.033 N/A ASP 12.A N PRO 122.A O no hydrogen 3.012 N/A ALA 14.A N ASP 12.A OD1 no hydrogen 2.801 N/A GLY 15.A N ASP 12.A O no hydrogen 2.959 N/A VAL 16.A N THR 301.A O no hydrogen 2.981 N/A VAL 20.A N VAL 16.A O no hydrogen 2.909 N/A VAL 21.A N GLY 17.A O no hydrogen 2.880 N/A VAL 22.A N.A ALA 18.A O no hydrogen 2.974 N/A VAL 22.A N.B ALA 18.A O no hydrogen 2.998 N/A LYS 23.A N GLU 19.A O no hydrogen 2.926 N/A LYS 23.A NZ GLY 309.A O no hydrogen 2.838 N/A LYS 23.A NZ VAL 311.A O no hydrogen 2.739 N/A SER 24.A N VAL 20.A O no hydrogen 2.973 N/A SER 24.A OG VAL 20.A O no hydrogen 2.805 N/A LEU 25.A N VAL 21.A O no hydrogen 3.105 N/A ALA 26.A N LYS 23.A O no hydrogen 3.343 N/A HIS 27.A N SER 24.A O no hydrogen 2.973 N/A HIS 27.A NE2 GLU 313.A OE2 no hydrogen 2.770 N/A VAL 30.A N HIS 27.A O no hydrogen 3.098 N/A TYR 31.A N ALA 28.A O no hydrogen 2.928 N/A ALA 32.A N SER 29.A O no hydrogen 3.074 N/A GLN 33.A N VAL 30.A O no hydrogen 3.059 N/A CYS 34.A N VAL 30.A O no hydrogen 2.981 N/A CYS 34.A SG VAL 30.A O no hydrogen 3.596 N/A ARG 35.A N PRO 4.A O no hydrogen 2.756 N/A ARG 35.A NE LEU 3.A O no hydrogen 2.858 N/A ARG 35.A NH2 LEU 3.A O no hydrogen 2.854 N/A LEU 37.A N ILE 6.A O no hydrogen 2.914 N/A VAL 38.A N ASP 75.A O no hydrogen 3.008 N/A ILE 39.A N ILE 8.A O no hydrogen 2.875 N/A GLY 40.A N ILE 77.A O no hydrogen 3.017 N/A ALA 42.A N ASP 78.A OD1 no hydrogen 2.965 N/A ARG 44.A N ASP 41.A OD2 no hydrogen 2.864 N/A ARG 44.A NE ALA 13.A O no hydrogen 2.825 N/A ARG 44.A NH1 ALA 13.A O no hydrogen 2.893 N/A ARG 44.A NH1 LEU 86.A O no hydrogen 2.867 N/A ARG 44.A NH2 LEU 86.A O no hydrogen 2.775 N/A LEU 45.A N ASP 41.A O no hydrogen 3.041 N/A GLU 46.A N ALA 42.A O no hydrogen 2.997 N/A ARG 47.A N LYS 43.A O no hydrogen 2.980 N/A ALA 48.A N ARG 44.A O no hydrogen 2.831 N/A ASN 49.A N LEU 45.A O no hydrogen 2.847 N/A ASN 49.A ND2 GLY 54.A O no hydrogen 3.293 N/A GLN 50.A N GLU 46.A O no hydrogen 3.056 N/A ILE 51.A N ARG 47.A O no hydrogen 3.009 N/A VAL 52.A N ALA 48.A O no hydrogen 2.932 N/A GLY 53.A N GLN 50.A O no hydrogen 3.187 N/A GLY 54.A N ASN 49.A O no hydrogen 2.931 N/A MET 56.A N ASN 49.A OD1 no hydrogen 2.904 N/A LYS 57.A N GLY 72.A O no hydrogen 2.944 N/A ARG 59.A N ILE 74.A O no hydrogen 2.856 N/A ARG 59.A NE ASP 75.A OD1 no hydrogen 2.845 N/A ARG 59.A NH2 GLU 70.A OE1 no hydrogen 3.099 N/A ARG 60.A NH1 GLU 46.A OE2 no hydrogen 2.947 N/A ARG 60.A NH2 GLU 46.A OE1 no hydrogen 2.982 N/A ARG 60.A NH2 GLU 46.A OE2 no hydrogen 3.316 N/A ILE 61.A N CYS 76.A O no hydrogen 2.923 N/A GLU 62.A N GLU 66.A OE2 no hydrogen 2.836 N/A ASP 63.A N GLU 66.A OE2 no hydrogen 3.007 N/A SER 65.A N ASP 63.A OD1 no hydrogen 2.959 N/A SER 65.A OG ASP 63.A OD1 no hydrogen 2.891 N/A GLU 66.A N ASP 63.A O no hydrogen 2.999 N/A ALA 67.A N ALA 64.A O no hydrogen 3.098 N/A ARG 68.A N ASP 75.A OD1 no hydrogen 3.000 N/A TYR 69.A N ASP 75.A OD2 no hydrogen 2.781 N/A THR 73.A N GLU 70.A O no hydrogen 3.044 N/A ILE 74.A N LYS 57.A O no hydrogen 2.870 N/A CYS 76.A N ARG 59.A O no hydrogen 2.904 N/A ILE 77.A N VAL 38.A O no hydrogen 2.793 N/A LEU 79.A N GLY 40.A O no hydrogen 3.030 N/A GLY 80.A N ASP 78.A OD1 no hydrogen 3.081 N/A ILE 82.A N ASP 41.A OD1 no hydrogen 3.097 N/A LEU 86.A N PRO 83.A O no hydrogen 3.082 N/A GLY 89.A N ALA 14.A O no hydrogen 2.792 N/A ALA 95.A N SER 92.A OG no hydrogen 2.985 N/A GLY 96.A N SER 92.A O no hydrogen 2.879 N/A ASP 97.A N ALA 93.A O no hydrogen 2.932 N/A ALA 98.A N ILE 94.A O no hydrogen 2.893 N/A ALA 99.A N ALA 95.A O no hydrogen 2.954 N/A TYR 100.A N GLY 96.A O no hydrogen 3.300 N/A GLN 101.A N ASP 97.A O no hydrogen 2.832 N/A GLN 101.A NE2 ASP 97.A OD1 no hydrogen 3.004 N/A TYR 102.A N ALA 98.A O no hydrogen 2.900 N/A ILE 103.A N ALA 99.A O no hydrogen 3.209 N/A LYS 104.A N TYR 100.A O no hydrogen 2.824 N/A ARG 105.A N GLN 101.A O no hydrogen 2.942 N/A ALA 106.A N TYR 102.A O no hydrogen 2.946 N/A VAL 107.A N ILE 103.A O no hydrogen 2.933 N/A GLU 108.A N LYS 104.A O no hydrogen 3.051 N/A LEU 109.A N ARG 105.A O no hydrogen 2.912 N/A ALA 110.A N ALA 106.A O no hydrogen 2.904 N/A GLN 111.A N VAL 107.A O no hydrogen 3.016 N/A SER 112.A N GLU 108.A O no hydrogen 3.059 N/A SER 112.A OG GLU 108.A O no hydrogen 3.164 N/A SER 112.A OG LEU 109.A O no hydrogen 3.236 N/A GLY 113.A N ALA 110.A O no hydrogen 3.088 N/A LYS 114.A N LEU 109.A O no hydrogen 2.933 N/A ASP 116.A N VAL 5.A O no hydrogen 2.836 N/A ILE 118.A N ILE 293.A O no hydrogen 2.869 N/A CYS 119.A N GLY 7.A O no hydrogen 2.902 N/A CYS 119.A SG THR 295.A OG1 no hydrogen 3.584 N/A THR 120.A N THR 295.A O no hydrogen 2.937 N/A THR 120.A OG1 THR 295.A O no hydrogen 3.285 N/A THR 120.A OG1 SER 296.A OG.A no hydrogen 3.001 N/A ALA 121.A N THR 9.A O no hydrogen 3.008 N/A LYS 125.A NZ PRO 136.A O no hydrogen 2.943 N/A ALA 127.A N ASN 124.A OD1 no hydrogen 2.948 N/A LEU 128.A N ASN 124.A O no hydrogen 2.932 N/A HIS 129.A N LYS 125.A O no hydrogen 3.009 N/A HIS 129.A NE2 TYR 135.A O no hydrogen 2.736 N/A ALA 130.A N GLU 126.A O no hydrogen 2.929 N/A GLY 131.A N ALA 127.A O no hydrogen 2.950 N/A GLY 131.A N LEU 128.A O no hydrogen 3.134 N/A GLY 132.A N HIS 129.A O no hydrogen 2.933 N/A HIS 133.A N LEU 128.A O no hydrogen 3.057 N/A HIS 133.A NE2 ASP 97.A OD1 no hydrogen 2.691 N/A TYR 135.A N HIS 133.A O no hydrogen 2.879 N/A TYR 135.A OH HIS 144.A ND1 no hydrogen 2.723 N/A GLU 140.A N GLU 140.A OE1 no hydrogen 2.772 N/A MET 141.A N GLY 137.A O no hydrogen 3.039 N/A LEU 142.A N HIS 138.A O no hydrogen 3.217 N/A ALA 143.A N THR 139.A O no hydrogen 2.995 N/A HIS 144.A N GLU 140.A O no hydrogen 2.948 N/A HIS 144.A ND1 TYR 135.A OH no hydrogen 2.723 N/A LEU 145.A N MET 141.A O no hydrogen 2.993 N/A THR 146.A N LEU 142.A O no hydrogen 3.016 N/A THR 146.A OG1 LEU 142.A O no hydrogen 2.745 N/A GLY 147.A N ALA 143.A O no hydrogen 3.003 N/A GLY 147.A N HIS 144.A O no hydrogen 3.177 N/A VAL 148.A N ALA 143.A O no hydrogen 3.100 N/A SER 152.A N VAL 288.A O no hydrogen 2.908 N/A MET 154.A N VAL 286.A O no hydrogen 2.780 N/A LEU 155.A N VAL 162.A O no hydrogen 2.935 N/A ALA 157.A N LEU 160.A O no hydrogen 2.799 N/A LEU 160.A N ALA 157.A O no hydrogen 3.018 N/A ARG 161.A NH1 ASP 261.A O no hydrogen 2.922 N/A VAL 162.A N LEU 155.A O no hydrogen 2.879 N/A ILE 163.A N VAL 263.A O no hydrogen 2.860 N/A HIS 164.A N MET 153.A O no hydrogen 2.961 N/A HIS 164.A ND1 MET 153.A O no hydrogen 3.078 N/A VAL 165.A N ALA 265.A O no hydrogen 2.895 N/A THR 166.A N MET 266.A O no hydrogen 3.325 N/A THR 166.A OG1 MET 266.A O no hydrogen 2.797 N/A ILE 169.A N THR 167.A O no hydrogen 2.959 N/A ALA 174.A N GLY 170.A O no hydrogen 2.857 N/A ILE 175.A N ILE 171.A O no hydrogen 3.143 N/A ARG 176.A N ILE 172.A O no hydrogen 3.235 N/A LYS 177.A N ASP 173.A O no hydrogen 2.851 N/A ILE 178.A N ALA 174.A O no hydrogen 3.090 N/A GLY 181.A N GLU 179.A OE1 no hydrogen 2.946 N/A LEU 182.A N GLU 179.A OE2 no hydrogen 2.908 N/A VAL 183.A N GLU 179.A O no hydrogen 3.066 N/A GLN 184.A N PRO 180.A O no hydrogen 2.882 N/A GLN 184.A NE2 GLU 188.A OE2 no hydrogen 2.946 N/A ARG 185.A N GLY 181.A O no hydrogen 2.900 N/A ARG 185.A NE GLU 150.A OE1 no hydrogen 2.800 N/A ARG 185.A NE GLU 150.A OE2 no hydrogen 3.445 N/A ARG 185.A NH1 GLU 150.A OE2 no hydrogen 2.884 N/A THR 186.A N LEU 182.A O no hydrogen 2.972 N/A THR 186.A OG1 LEU 182.A O no hydrogen 2.709 N/A ILE 187.A N VAL 183.A O no hydrogen 3.002 N/A GLU 188.A N GLN 184.A O no hydrogen 2.906 N/A ARG 189.A N ARG 185.A O no hydrogen 2.860 N/A ARG 189.A NE SER 152.A OG no hydrogen 2.894 N/A ARG 189.A NH1 GLU 150.A OE1 no hydrogen 2.891 N/A ARG 189.A NH2 GLU 150.A OE1 no hydrogen 3.004 N/A GLY 190.A N THR 186.A O no hydrogen 3.042 N/A ASN 191.A N ILE 187.A O no hydrogen 2.846 N/A ALA 192.A N GLU 188.A O no hydrogen 2.881 N/A THR 193.A N ARG 189.A O no hydrogen 3.055 N/A THR 193.A OG1.B ARG 189.A O no hydrogen 2.951 N/A LEU 194.A N GLY 190.A O no hydrogen 3.140 N/A VAL 195.A N ASN 191.A O no hydrogen 3.000 N/A LYS 196.A N ALA 192.A O no hydrogen 2.988 N/A LYS 196.A NZ GLU 291.A O no hydrogen 3.002 N/A ALA 197.A N THR 193.A O no hydrogen 3.092 N/A GLY 198.A N VAL 195.A O no hydrogen 3.037 N/A ILE 199.A N LEU 194.A O no hydrogen 2.918 N/A ARG 203.A N ASP 261.A OD2 no hydrogen 2.749 N/A ARG 203.A NE ASP 261.A OD2 no hydrogen 3.081 N/A ARG 203.A NH1 GLY 258.A O no hydrogen 2.842 N/A ARG 203.A NH2 GLY 258.A O no hydrogen 3.307 N/A ARG 203.A NH2 ASP 261.A OD1 no hydrogen 2.925 N/A ILE 204.A N ASP 241.A O no hydrogen 2.841 N/A GLY 205.A N LEU 262.A O no hydrogen 2.919 N/A VAL 206.A N THR 243.A O no hydrogen 2.846 N/A CYS 207.A N VAL 264.A O no hydrogen 2.871 N/A CYS 207.A SG VAL 264.A O no hydrogen 3.538 N/A GLY 208.A N LEU 246.A O no hydrogen 2.973 N/A ILE 209.A N GLU 224.A OE2 no hydrogen 2.836 N/A ASN 210.A N GLU 224.A OE2 no hydrogen 2.845 N/A ASN 210.A ND2 GLU 223.A OE1 no hydrogen 2.876 N/A ASN 210.A ND2 GLU 224.A OE1 no hydrogen 2.943 N/A HIS 212.A ND1 GLU 215.A OE1.A no hydrogen 3.074 N/A HIS 212.A ND1 GLU 215.A OE2.A no hydrogen 2.761 N/A GLY 214.A N PRO 211.A O no hydrogen 2.965 N/A GLU 215.A N HIS 212.A O no hydrogen 3.020 N/A LEU 218.A N GLU 215.A O no hydrogen 3.141 N/A PHE 219.A N GLY 214.A O no hydrogen 2.956 N/A TYR 221.A N GLU 223.A OE1 no hydrogen 2.803 N/A GLU 223.A N GLU 223.A OE1 no hydrogen 2.842 N/A GLU 224.A N GLU 224.A OE1 no hydrogen 2.886 N/A GLU 226.A N GLY 222.A O no hydrogen 3.046 N/A LYS 227.A N GLU 223.A O no hydrogen 2.776 N/A LYS 227.A NZ ILE 175.A O no hydrogen 2.933 N/A LYS 227.A NZ ARG 176.A O no hydrogen 3.408 N/A LYS 227.A NZ ILE 178.A O no hydrogen 2.825 N/A ILE 228.A N GLU 224.A O no hydrogen 2.995 N/A ILE 229.A N GLU 224.A O no hydrogen 2.867 N/A VAL 232.A N ILE 228.A O no hydrogen 3.077 N/A THR 233.A N ILE 229.A O no hydrogen 2.922 N/A THR 233.A OG1 ILE 229.A O no hydrogen 3.351 N/A LEU 234.A N PRO 230.A O no hydrogen 3.192 N/A LEU 235.A N ALA 231.A O no hydrogen 3.091 N/A GLN 236.A N VAL 232.A O no hydrogen 2.937 N/A GLN 236.A NE2 VAL 242.A O no hydrogen 2.803 N/A GLU 237.A N THR 233.A O no hydrogen 2.988 N/A ARG 238.A N LEU 234.A O no hydrogen 3.015 N/A GLY 239.A N GLN 236.A O no hydrogen 2.917 N/A LEU 240.A N LEU 235.A O no hydrogen 2.994 N/A THR 243.A N ILE 204.A O no hydrogen 2.827 N/A LEU 246.A N VAL 206.A O no hydrogen 2.847 N/A LEU 251.A N PRO 247.A O no hydrogen 2.991 N/A PHE 252.A N ALA 248.A O no hydrogen 2.876 N/A PHE 253.A N ASP 249.A O no hydrogen 2.999 N/A ARG 254.A N THR 250.A O no hydrogen 2.912 N/A ARG 254.A NE ASP 259.A OD2 no hydrogen 2.863 N/A ARG 254.A NH2 ASP 259.A OD2 no hydrogen 3.396 N/A ALA 255.A N LEU 251.A O no hydrogen 2.820 N/A GLY 256.A N PHE 252.A O no hydrogen 2.980 N/A ARG 257.A N PHE 253.A O no hydrogen 3.173 N/A GLY 258.A N ALA 255.A O no hydrogen 3.037 N/A ASP 259.A N ARG 254.A O no hydrogen 3.028 N/A ASP 261.A N ARG 203.A O no hydrogen 2.852 N/A VAL 263.A N ARG 161.A O no hydrogen 2.808 N/A VAL 264.A N GLY 205.A O no hydrogen 2.833 N/A ALA 265.A N ILE 163.A O no hydrogen 2.868 N/A MET 266.A N GLN 270.A OE1 no hydrogen 2.812 N/A HIS 268.A ND1 ASP 269.A OD1 no hydrogen 2.998 N/A GLN 270.A NE2 GLY 208.A O no hydrogen 2.925 N/A GLY 271.A N TYR 267.A O no hydrogen 3.378 N/A GLY 271.A N HIS 268.A O no hydrogen 3.208 N/A HIS 272.A N HIS 268.A O no hydrogen 2.859 N/A HIS 272.A ND1 HIS 164.A NE2 no hydrogen 3.001 N/A GLY 273.A N ASP 269.A O no hydrogen 3.158 N/A LYS 276.A N HIS 272.A O no hydrogen 2.919 N/A VAL 277.A N GLY 273.A O no hydrogen 3.033 N/A LEU 278.A N VAL 275.A O no hydrogen 3.212 N/A GLY 279.A N LYS 276.A O no hydrogen 3.039 N/A ASN 285.A N SER 296.A O no hydrogen 2.987 N/A ASN 285.A ND2 ASP 298.A OD1 no hydrogen 2.523 N/A VAL 286.A N MET 154.A O no hydrogen 3.101 N/A THR 287.A N ARG 294.A O no hydrogen 2.787 N/A VAL 288.A N SER 152.A O no hydrogen 2.805 N/A ARG 294.A N THR 287.A O no hydrogen 3.354 N/A ARG 294.A NE THR 120.A OG1 no hydrogen 3.080 N/A ARG 294.A NH1 THR 120.A OG1 no hydrogen 3.029 N/A ARG 294.A NH2 THR 139.A OG1 no hydrogen 2.929 N/A ARG 294.A NH2 THR 287.A OG1 no hydrogen 2.967 N/A THR 295.A N ILE 118.A O no hydrogen 2.915 N/A THR 295.A OG1 ALA 319.A O no hydrogen 2.899 N/A SER 296.A N ASN 285.A O no hydrogen 3.085 N/A SER 296.A OG.A THR 120.A O no hydrogen 3.175 N/A SER 296.A OG.A THR 120.A OG1 no hydrogen 3.001 N/A SER 296.A OG.A VAL 297.A O no hydrogen 3.568 N/A ASP 298.A N GLY 283.A O no hydrogen 2.729 N/A HIS 299.A ND1 GLY 300.A O no hydrogen 3.088 N/A ILE 305.A N ALA 302.A O no hydrogen 2.932 N/A ALA 306.A N ALA 302.A O no hydrogen 2.956 N/A GLY 307.A N GLU 19.A OE2 no hydrogen 2.814 N/A LYS 308.A N ILE 305.A O no hydrogen 3.150 N/A GLY 309.A N GLU 19.A OE1 no hydrogen 2.785 N/A GLU 313.A N GLU 313.A OE1 no hydrogen 2.708 N/A GLY 314.A N ASP 312.A OD2 no hydrogen 2.895 N/A SER 315.A OG ALA 282.A O no hydrogen 3.263 N/A LEU 317.A N GLU 313.A O no hydrogen 2.885 N/A GLU 318.A N GLY 314.A O no hydrogen 3.106 N/A ALA 319.A N SER 315.A O no hydrogen 2.888 N/A LEU 320.A N MET 316.A O no hydrogen 2.868 N/A ARG 321.A N LEU 317.A O no hydrogen 2.973 N/A ARG 321.A NE GLU 318.A OE1 no hydrogen 3.036 N/A ARG 321.A NH1 GLU 325.A OE2 no hydrogen 2.917 N/A ARG 321.A NH2 GLU 318.A OE2 no hydrogen 2.797 N/A GLN 322.A N GLU 318.A O no hydrogen 2.887 N/A GLN 322.A NE2 GLU 318.A OE2 no hydrogen 2.963 N/A GLY 323.A N ALA 319.A O no hydrogen 2.974 N/A ALA 324.A N LEU 320.A O no hydrogen 2.853 N/A GLU 325.A N ARG 321.A O no hydrogen 3.099 N/A LEU 326.A N GLN 322.A O no hydrogen 3.155 N/A ALA 327.A N ALA 324.A O no hydrogen 3.329 N/A THR 328.A N ASP 116.A O no hydrogen 2.872 N/A ARG 329.A N LYS 196.A O no hydrogen 2.892 N/A ARG 329.A NH1 GLU 325.A O no hydrogen 3.003 N/A ARG 329.A NH1 ALA 327.A O no hydrogen 2.732 N/A ARG 329.A NH2 GLU 325.A O no hydrogen 2.857 N/A ARG 330.A NE ASP 116.A OD1 no hydrogen 2.790 N/A ARG 330.A NH2 ILE 115.A O no hydrogen 3.284 N/A ARG 330.A NH2 ASP 116.A OD1 no hydrogen 3.059 N/A