Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4het_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 81.A OD2 no hydrogen 2.601 N/A ILE 5.A N TYR 88.A OH no hydrogen 3.197 N/A ASP 6.A N VAL 43.A O no hydrogen 2.796 N/A THR 9.A N GLU 41.A O no hydrogen 2.862 N/A THR 9.A OG1 GLU 41.A OE1 no hydrogen 3.207 N/A ASP 11.A N LYS 39.A O no hydrogen 3.318 N/A VAL 13.A N GLY 10.A O no hydrogen 3.196 N/A GLN 14.A N TYR 28.A O no hydrogen 2.707 N/A ASN 17.A N ASN 26.A O no hydrogen 2.832 N/A ASN 19.A N LEU 24.A O no hydrogen 3.013 N/A SER 22.A N ASN 19.A OD1 no hydrogen 2.740 N/A LYS 23.A N ASN 19.A O no hydrogen 2.958 N/A LEU 24.A N SER 22.A OG no hydrogen 3.396 N/A ILE 25.A N THR 89.A O no hydrogen 2.860 N/A ASN 26.A N ASN 17.A O no hydrogen 3.036 N/A VAL 27.A N LYS 91.A O no hydrogen 2.778 N/A TYR 28.A N LEU 15.A O no hydrogen 2.824 N/A VAL 29.A N VAL 93.A O no hydrogen 2.913 N/A ASN 30.A N ASP 12.A O no hydrogen 3.364 N/A ASN 30.A ND2 ASP 12.A OD1 no hydrogen 3.258 N/A LYS 31.A NZ GLU 96.A OE2.A no hydrogen 2.825 N/A ALA 33.A N ASN 30.A O no hydrogen 2.974 N/A SER 36.A N ASP 34.A OD1 no hydrogen 3.026 N/A SER 36.A OG ASP 34.A OD1 no hydrogen 2.640 N/A SER 36.A OG ASP 34.A OD2 no hydrogen 3.493 N/A LYS 37.A N ASP 34.A O no hydrogen 3.087 N/A GLN 38.A N TYR 64.A O no hydrogen 2.916 N/A GLN 38.A NE2 ASP 12.A OD2 no hydrogen 2.873 N/A GLN 38.A NE2 ASP 34.A O no hydrogen 2.909 N/A GLU 41.A N THR 9.A O no hydrogen 2.780 N/A VAL 43.A N ALA 7.A O no hydrogen 3.270 N/A ALA 48.A N PRO 45.A O no hydrogen 3.028 N/A THR 49.A N THR 78.A O no hydrogen 3.145 N/A THR 49.A OG1 THR 78.A OG1 no hydrogen 3.284 N/A LYS 51.A N THR 76.A O no hydrogen 3.159 N/A ASN 53.A N LYS 74.A O no hydrogen 2.881 N/A VAL 56.A N ASP 59.A OD2 no hydrogen 2.914 N/A ASP 59.A N VAL 56.A O no hydrogen 2.862 N/A THR 60.A N THR 63.A O no hydrogen 3.034 N/A THR 60.A OG1 THR 63.A O no hydrogen 3.494 N/A THR 60.A OG1 THR 63.A OG1 no hydrogen 2.815 N/A ALA 62.A N THR 60.A OG1 no hydrogen 3.357 N/A THR 63.A N THR 60.A OG1 no hydrogen 2.947 N/A THR 63.A OG1 THR 60.A OG1 no hydrogen 2.815 N/A TYR 64.A N GLN 38.A O no hydrogen 2.832 N/A ASP 65.A N ASP 59.A OD1 no hydrogen 2.892 N/A PHE 66.A N LEU 35.A O no hydrogen 2.819 N/A SER 67.A N ASP 65.A OD1 no hydrogen 2.807 N/A SER 67.A OG ASP 65.A OD1 no hydrogen 2.584 N/A SER 67.A OG ASP 65.A OD2 no hydrogen 3.556 N/A THR 70.A OG1 SER 72.A OG.B no hydrogen 2.680 N/A HIS 71.A N GLU 68.A O no hydrogen 2.798 N/A SER 72.A OG.A THR 70.A O no hydrogen 2.972 N/A SER 72.A OG.B THR 70.A OG1 no hydrogen 2.680 N/A ARG 73.A N VAL 90.A O no hydrogen 2.941 N/A ARG 73.A NE ASP 54.A OD1 no hydrogen 3.357 N/A ARG 73.A NH1 ASP 59.A OD1 no hydrogen 2.878 N/A ARG 73.A NH1 ASP 59.A OD2 no hydrogen 3.511 N/A ARG 73.A NH1 ASP 65.A O no hydrogen 2.925 N/A ARG 73.A NH2 ASP 54.A O no hydrogen 3.057 N/A ARG 73.A NH2 ASP 54.A OD1 no hydrogen 3.236 N/A ARG 73.A NH2 ASP 59.A OD2 no hydrogen 2.878 N/A PHE 75.A N TYR 88.A O no hydrogen 2.871 N/A THR 76.A N LYS 51.A O no hydrogen 2.958 N/A THR 76.A OG1 ASN 53.A OD1 no hydrogen 2.688 N/A VAL 77.A N PRO 86.A O no hydrogen 3.362 N/A THR 78.A N THR 49.A O no hydrogen 3.151 N/A THR 78.A OG1 THR 49.A OG1 no hydrogen 3.284 N/A SER 79.A N TRP 84.A O no hydrogen 3.322 N/A SER 79.A OG TRP 84.A O no hydrogen 3.509 N/A TRP 84.A N SER 79.A OG no hydrogen 3.218 N/A TYR 88.A N PHE 75.A O no hydrogen 2.832 N/A THR 89.A N LYS 23.A O no hydrogen 2.821 N/A VAL 90.A N ARG 73.A O no hydrogen 2.824 N/A LYS 91.A N ILE 25.A O no hydrogen 2.832 N/A LYS 91.A NZ THR 70.A O no hydrogen 3.027 N/A VAL 92.A N HIS 71.A O no hydrogen 2.987 N/A VAL 93.A N VAL 27.A O no hydrogen 2.777 N/A ALA 95.A N VAL 29.A O no hydrogen 2.859 N/A GLU 96.A N SER 127.A O no hydrogen 3.013 N/A PHE 101.A N VAL 337.A O no hydrogen 2.810 N/A ASN 102.A N GLU 117.A OE2 no hydrogen 2.746 N/A LEU 107.A N ILE 114.A O no hydrogen 2.914 N/A SER 109.A OG TYR 112.A O no hydrogen 3.132 N/A ASP 111.A N SER 109.A OG no hydrogen 3.118 N/A TYR 112.A N SER 109.A OG no hydrogen 3.384 N/A TYR 116.A N GLU 105.A O no hydrogen 3.152 N/A GLU 117.A N LEU 130.A O no hydrogen 2.823 N/A GLN 119.A N LYS 128.A O no hydrogen 2.757 N/A GLN 119.A NE2 SER 100.A O no hydrogen 2.835 N/A GLN 119.A NE2 GLU 117.A OE1 no hydrogen 2.850 N/A THR 122.A N GLU 125.A OE1 no hydrogen 3.273 N/A GLU 125.A N THR 122.A O no hydrogen 3.328 N/A SER 127.A OG PRO 120.A O no hydrogen 3.107 N/A LYS 128.A N GLN 119.A O no hydrogen 2.949 N/A VAL 129.A N GLU 96.A O no hydrogen 2.975 N/A LEU 130.A N GLU 117.A O no hydrogen 2.977 N/A GLN 131.A N GLN 14.A OE1.B no hydrogen 3.138 N/A TRP 132.A N PHE 115.A O no hydrogen 2.903 N/A SER 133.A N PHE 186.A O no hydrogen 2.848 N/A SER 133.A OG GLY 188.A O no hydrogen 2.767 N/A GLY 135.A N ASN 184.A OD1 no hydrogen 2.867 N/A ASN 136.A N SER 134.A OG no hydrogen 2.924 N/A ASN 136.A ND2 ASP 113.A O no hydrogen 3.201 N/A ASN 136.A ND2 THR 152.A O no hydrogen 2.811 N/A PHE 139.A N GLY 135.A O no hydrogen 2.989 N/A LYS 140.A N ASN 136.A O no hydrogen 2.900 N/A LEU 141.A N GLY 138.A O no hydrogen 3.123 N/A THR 142.A N PHE 139.A O no hydrogen 3.064 N/A THR 142.A OG1 PHE 139.A O no hydrogen 2.618 N/A GLY 143.A N LYS 140.A O no hydrogen 3.099 N/A ASN 145.A N ASP 149.A OD2 no hydrogen 2.793 N/A SER 146.A N ASP 149.A OD2 no hydrogen 3.104 N/A SER 146.A OG THR 148.A OG1 no hydrogen 3.085 N/A LYS 147.A NZ SER 109.A O no hydrogen 2.803 N/A THR 148.A OG1 SER 146.A OG no hydrogen 3.085 N/A ASP 149.A N SER 146.A O no hydrogen 3.055 N/A TYR 150.A N LYS 147.A O no hydrogen 3.342 N/A THR 152.A N ASN 136.A OD1 no hydrogen 3.275 N/A THR 152.A OG1 ASN 184.A O no hydrogen 2.611 N/A VAL 153.A N LYS 165.A O no hydrogen 2.939 N/A GLN 154.A N ASP 113.A OD2 no hydrogen 2.848 N/A GLN 154.A NE2 PHE 103.A O no hydrogen 2.886 N/A GLN 154.A NE2 GLU 104.A O no hydrogen 2.912 N/A VAL 155.A N GLY 163.A O no hydrogen 2.946 N/A ASN 157.A N GLY 161.A O no hydrogen 2.808 N/A ARG 160.A NE ASP 335.A OD2 no hydrogen 2.972 N/A ARG 160.A NH2 ASP 335.A OD2 no hydrogen 2.853 N/A GLY 161.A N GLY 158.A O no hydrogen 3.051 N/A LYS 162.A N GLU 104.A OE2.A no hydrogen 3.439 N/A GLY 163.A N VAL 155.A O no hydrogen 3.003 N/A VAL 164.A N VAL 334.A O no hydrogen 3.005 N/A LYS 165.A N VAL 153.A O no hydrogen 2.759 N/A LYS 165.A NZ GLU 167.A OE1 no hydrogen 2.659 N/A LEU 166.A N LEU 332.A O no hydrogen 2.813 N/A GLU 167.A N PRO 151.A O no hydrogen 2.825 N/A THR 168.A N SER 330.A O no hydrogen 2.908 N/A THR 168.A OG1 SER 317.A OG no hydrogen 2.732 N/A THR 168.A OG1 SER 318.A OG no hydrogen 2.583 N/A ARG 169.A N ALA 181.A O no hydrogen 2.769 N/A ARG 169.A NE TYR 150.A O no hydrogen 3.004 N/A ARG 169.A NH2 TYR 150.A O no hydrogen 2.781 N/A GLY 172.A N ASP 170.A OD1 no hydrogen 2.957 N/A GLY 175.A N THR 171.A O no hydrogen 3.366 N/A ALA 176.A N GLY 172.A O no hydrogen 3.046 N/A LYS 178.A N ALA 176.A O no hydrogen 2.874 N/A ALA 181.A N ARG 169.A O no hydrogen 2.799 N/A GLY 183.A N SER 317.A OG no hydrogen 2.866 N/A LEU 185.A N LEU 315.A O no hydrogen 3.009 N/A PHE 186.A N SER 133.A O no hydrogen 2.858 N/A ILE 187.A N ILE 313.A O no hydrogen 2.995 N/A THR 189.A N ASN 204.A O no hydrogen 2.896 N/A GLU 191.A N ALA 202.A O no hydrogen 2.810 N/A ASN 194.A N GLU 191.A O no hydrogen 2.966 N/A ASN 194.A ND2 GLU 191.A OE1 no hydrogen 2.593 N/A ALA 195.A N VAL 192.A O no hydrogen 2.996 N/A THR 197.A OG1 ASP 198.A OD1 no hydrogen 3.284 N/A ASP 198.A N ASN 194.A O no hydrogen 2.978 N/A ARG 200.A NE ASP 259.A OD1 no hydrogen 2.918 N/A ARG 200.A NH1 ALA 322.A O no hydrogen 2.945 N/A LYS 201.A N ASP 198.A O no hydrogen 2.857 N/A LYS 201.A NZ ASP 259.A OD2 no hydrogen 2.768 N/A ALA 202.A N ASP 198.A O no hydrogen 2.988 N/A ALA 202.A N PRO 199.A O no hydrogen 3.168 N/A THR 203.A OG1 ARG 200.A O no hydrogen 3.187 N/A ASN 204.A N THR 189.A O no hydrogen 2.808 N/A PHE 205.A N LEU 256.A O no hydrogen 2.776 N/A GLY 206.A N ILE 187.A O no hydrogen 2.794 N/A PHE 207.A N LEU 311.A O no hydrogen 3.076 N/A GLN 208.A NE2 GLY 307.A O no hydrogen 2.740 N/A PHE 209.A N TYR 309.A O no hydrogen 3.036 N/A ARG 212.A NH1 ASP 301.A OD1 no hydrogen 3.035 N/A ARG 212.A NH2 ILE 299.A O no hydrogen 3.023 N/A ARG 212.A NH2 ASP 301.A OD1 no hydrogen 2.553 N/A LYS 214.A N ILE 340.A O no hydrogen 2.757 N/A THR 215.A N ILE 340.A O no hydrogen 3.032 N/A LEU 216.A N ILE 289.A O no hydrogen 2.853 N/A LYS 217.A N GLU 338.A O no hydrogen 2.880 N/A GLY 218.A N PHE 287.A O no hydrogen 3.067 N/A HIS 219.A ND1 ASP 335.A OD1 no hydrogen 2.787 N/A TYR 220.A N THR 285.A O no hydrogen 2.930 N/A LYS 221.A N TYR 333.A O no hydrogen 2.965 N/A LYS 221.A NZ ASP 282.A O no hydrogen 2.824 N/A LYS 223.A N THR 331.A O no hydrogen 3.026 N/A ALA 224.A N GLU 280.A OE1 no hydrogen 2.964 N/A GLY 225.A N SER 330.A OG no hydrogen 2.914 N/A SER 229.A N GLY 326.A O no hydrogen 2.829 N/A SER 229.A OG GLY 326.A O no hydrogen 3.432 N/A VAL 230.A N LYS 233.A O no hydrogen 3.017 N/A GLU 231.A N PHE 324.A O no hydrogen 3.191 N/A LYS 233.A N VAL 230.A O no hydrogen 2.971 N/A GLN 235.A N TYR 228.A O no hydrogen 2.858 N/A ARG 239.A NE GLU 280.A OE2 no hydrogen 2.758 N/A ARG 239.A NH2 GLU 280.A OE1 no hydrogen 3.022 N/A LYS 241.A N ASP 240.A OD1 no hydrogen 2.931 N/A LYS 241.A NZ PRO 275.A O no hydrogen 3.089 N/A ASP 243.A N SER 316.A O no hydrogen 2.866 N/A ILE 244.A N ASP 243.A OD1 no hydrogen 2.933 N/A TYR 245.A N VAL 314.A O no hydrogen 2.970 N/A ALA 246.A N ALA 271.A O no hydrogen 2.792 N/A VAL 247.A N GLY 312.A O no hydrogen 2.879 N/A TYR 248.A OH PHE 205.A O no hydrogen 2.583 N/A GLU 249.A N LYS 266.A O no hydrogen 2.870 N/A ALA 250.A N LYS 308.A O no hydrogen 2.835 N/A ASN 252.A ND2 GLU 251.A OE1 no hydrogen 3.278 N/A SER 254.A N ASN 252.A OD1 no hydrogen 2.859 N/A SER 254.A OG ASN 252.A OD1 no hydrogen 2.576 N/A VAL 255.A N ASN 252.A O no hydrogen 3.097 N/A ASN 257.A N ASP 260.A OD1 no hydrogen 2.804 N/A GLY 258.A N ARG 200.A O no hydrogen 2.846 N/A ASP 259.A N ASN 257.A OD1 no hydrogen 2.934 N/A ASP 260.A N ASN 257.A O no hydrogen 3.208 N/A ASP 260.A N ASN 257.A OD1 no hydrogen 3.340 N/A THR 263.A N ASP 260.A O no hydrogen 3.249 N/A SER 264.A N ASP 260.A O no hydrogen 2.869 N/A LYS 266.A N SER 264.A OG no hydrogen 2.956 N/A LEU 267.A N SER 264.A O no hydrogen 3.156 N/A LEU 270.A N GLU 292.A O no hydrogen 2.992 N/A ALA 271.A N ALA 246.A O no hydrogen 2.907 N/A ARG 272.A NE ASP 243.A OD1 no hydrogen 3.420 N/A ARG 272.A NE ASP 243.A OD2 no hydrogen 3.258 N/A ARG 272.A NH2 ASP 243.A OD2 no hydrogen 2.889 N/A ILE 273.A N ILE 244.A O no hydrogen 3.043 N/A ASP 277.A N LYS 274.A O no hydrogen 2.915 N/A VAL 278.A N PRO 275.A O no hydrogen 3.155 N/A VAL 279.A N TYR 220.A OH no hydrogen 2.996 N/A GLN 283.A N SER 281.A OG no hydrogen 2.966 N/A THR 285.A N TYR 220.A O no hydrogen 2.938 N/A PHE 287.A N GLY 218.A O no hydrogen 2.831 N/A ILE 289.A N LEU 216.A O no hydrogen 2.758 N/A PHE 291.A N LYS 214.A O no hydrogen 2.946 N/A GLU 292.A N LEU 270.A O no hydrogen 2.769 N/A VAL 294.A N VAL 268.A O no hydrogen 2.847 N/A ARG 297.A N VAL 294.A O no hydrogen 2.942 N/A ARG 297.A NH1 LEU 267.A O no hydrogen 2.862 N/A ASP 300.A N TYR 309.A OH no hydrogen 2.903 N/A LYS 303.A N ASP 300.A OD2 no hydrogen 2.954 N/A LYS 303.A NZ GLU 249.A OE2 no hydrogen 2.676 N/A LEU 304.A N ASP 300.A O no hydrogen 2.809 N/A LYS 305.A N ASP 301.A O no hydrogen 2.945 N/A ASN 306.A N THR 302.A O no hydrogen 2.885 N/A GLY 307.A N LEU 304.A O no hydrogen 3.156 N/A LYS 308.A N LYS 303.A O no hydrogen 2.950 N/A LYS 308.A NZ GLU 251.A O no hydrogen 3.070 N/A LYS 310.A N TYR 248.A O no hydrogen 2.859 N/A LYS 310.A NZ ASN 253.A O no hydrogen 2.760 N/A LYS 310.A NZ ASN 253.A OD1 no hydrogen 3.302 N/A LYS 310.A NZ VAL 255.A O no hydrogen 2.823 N/A LEU 311.A N PHE 207.A O no hydrogen 2.909 N/A GLY 312.A N VAL 247.A O no hydrogen 3.007 N/A VAL 314.A N TYR 245.A O no hydrogen 2.823 N/A LEU 315.A N LEU 185.A O no hydrogen 2.868 N/A SER 316.A N ASP 243.A O no hydrogen 2.920 N/A SER 316.A OG SER 318.A O no hydrogen 3.082 N/A SER 317.A N GLY 183.A O no hydrogen 2.877 N/A SER 317.A OG THR 168.A OG1 no hydrogen 2.732 N/A SER 317.A OG GLY 183.A O no hydrogen 3.448 N/A SER 318.A N SER 316.A OG no hydrogen 3.254 N/A SER 318.A OG THR 168.A OG1 no hydrogen 2.583 N/A SER 318.A OG ASP 240.A OD2 no hydrogen 2.655 N/A VAL 319.A N LYS 241.A O no hydrogen 2.771 N/A GLY 321.A N SER 318.A O no hydrogen 2.896 N/A TYR 323.A N ASP 320.A O no hydrogen 2.922 N/A PHE 324.A N GLY 321.A O no hydrogen 2.938 N/A LYS 325.A N ASP 320.A O no hydrogen 3.247 N/A GLY 326.A N SER 229.A O no hydrogen 3.050 N/A ALA 327.A N ASP 240.A OD2 no hydrogen 2.939 N/A GLY 329.A N THR 168.A O no hydrogen 2.938 N/A SER 330.A N ALA 327.A O no hydrogen 3.008 N/A SER 330.A OG ASP 240.A OD2 no hydrogen 2.660 N/A SER 330.A OG ALA 327.A O no hydrogen 3.146 N/A THR 331.A N LYS 223.A O no hydrogen 2.878 N/A THR 331.A OG1 GLY 329.A O no hydrogen 2.844 N/A LEU 332.A N LEU 166.A O no hydrogen 2.744 N/A TYR 333.A N LYS 221.A O no hydrogen 2.794 N/A VAL 334.A N VAL 164.A O no hydrogen 3.128 N/A VAL 337.A N PHE 101.A O no hydrogen 3.053 N/A GLU 338.A N LYS 217.A O no hydrogen 2.774 N/A LEU 339.A N THR 99.A O no hydrogen 2.735 N/A ILE 340.A N THR 215.A O no hydrogen 2.833 N/A GLU 342.A N ARG 212.A O no hydrogen 2.867 N/A