Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u4b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 2.A N ASP 21.A OD1 no hydrogen 2.946 N/A THR 3.A OG1 THR 20.A OG1 no hydrogen 2.660 N/A MET 4.A N SER 19.A O no hydrogen 2.849 N/A LEU 5.A N ASN 82.A OD1 no hydrogen 2.839 N/A MET 6.A N SER 17.A O no hydrogen 2.873 N/A LEU 8.A N TYR 15.A O no hydrogen 2.959 N/A LYS 9.A NZ SER 63.A O no hydrogen 3.398 N/A LYS 9.A NZ THR 86.A OG1 no hydrogen 3.323 N/A LYS 10.A N ALA 13.A O no hydrogen 2.814 N/A THR 14.A N ASP 56.A O no hydrogen 3.069 N/A TYR 15.A N LEU 8.A O no hydrogen 2.882 N/A TYR 15.A OH THR 226.A OG1 no hydrogen 2.561 N/A LEU 16.A N PHE 54.A O no hydrogen 2.623 N/A SER 17.A N MET 6.A O no hydrogen 3.045 N/A SER 17.A OG ASN 168.A OD1 no hydrogen 2.507 N/A TRP 18.A N ARG 52.A O no hydrogen 2.825 N/A TRP 18.A NE1 GLN 28.A OE1 no hydrogen 2.905 N/A SER 19.A N MET 4.A O no hydrogen 3.065 N/A SER 19.A OG ASN 145.A OD1 no hydrogen 2.782 N/A THR 20.A OG1 ASP 2.A O no hydrogen 3.270 N/A THR 20.A OG1 THR 3.A OG1 no hydrogen 2.660 N/A ASP 21.A N ASP 2.A O no hydrogen 3.297 N/A ALA 22.A N THR 20.A OG1 no hydrogen 3.152 N/A VAL 26.A N VAL 72.A O no hydrogen 2.765 N/A ARG 27.A N VAL 72.A O no hydrogen 3.382 N/A ARG 27.A NE ASP 29.A OD1 no hydrogen 3.423 N/A ARG 27.A NH2 ASP 29.A OD2 no hydrogen 3.420 N/A GLN 28.A N LEU 47.A O no hydrogen 3.149 N/A GLN 28.A NE2 ASN 48.A O no hydrogen 2.896 N/A GLN 28.A NE2 ASP 51.A O no hydrogen 2.637 N/A ASP 29.A N ASP 70.A O no hydrogen 2.779 N/A VAL 30.A N ALA 45.A O no hydrogen 3.050 N/A TYR 31.A N TRP 68.A O no hydrogen 2.831 N/A ARG 32.A N GLU 42.A O no hydrogen 2.956 N/A ARG 32.A NH1 ASP 56.A OD2 no hydrogen 2.875 N/A ARG 32.A NH1 THR 58.A OG1 no hydrogen 2.780 N/A SER 33.A N TRP 66.A O no hydrogen 2.772 N/A SER 33.A OG SER 35.A O no hydrogen 2.936 N/A SER 33.A OG SER 35.A OG no hydrogen 3.429 N/A SER 33.A OG ALA 37.A O no hydrogen 3.099 N/A SER 35.A N SER 33.A OG no hydrogen 3.012 N/A SER 35.A OG SER 33.A OG no hydrogen 3.429 N/A ALA 37.A N SER 35.A OG no hydrogen 3.282 N/A SER 41.A N GLN 38.A O no hydrogen 3.090 N/A SER 41.A OG GLN 38.A O no hydrogen 2.668 N/A GLU 42.A N ARG 32.A O no hydrogen 2.855 N/A LYS 43.A NZ ASP 29.A OD1 no hydrogen 2.924 N/A LYS 43.A NZ ASP 29.A OD2 no hydrogen 3.130 N/A LYS 43.A NZ GLU 46.A OE2 no hydrogen 3.482 N/A ILE 44.A N VAL 30.A O no hydrogen 2.799 N/A ALA 45.A N VAL 30.A O no hydrogen 3.373 N/A LEU 47.A N GLN 28.A O no hydrogen 2.876 N/A SER 50.A N ASN 48.A OD1 no hydrogen 3.118 N/A SER 50.A OG ASN 48.A OD1 no hydrogen 3.485 N/A ASP 51.A N ASN 48.A OD1 no hydrogen 2.859 N/A ARG 52.A N GLY 221.A O no hydrogen 2.996 N/A ARG 52.A NH1 SER 49.A O no hydrogen 2.987 N/A ARG 52.A NH1 ASP 51.A O no hydrogen 2.949 N/A THR 53.A OG1 ASN 222.A O no hydrogen 2.793 N/A THR 53.A OG1 THR 224.A OG1 no hydrogen 3.370 N/A PHE 54.A N LEU 16.A O no hydrogen 2.751 N/A ASP 56.A N THR 14.A O no hydrogen 2.837 N/A THR 58.A N ASP 56.A OD1 no hydrogen 2.979 N/A THR 58.A OG1 ASP 56.A OD1 no hydrogen 2.878 N/A ASN 60.A N TYR 65.A OH no hydrogen 2.949 N/A GLN 62.A N ASN 60.A OD1 no hydrogen 3.007 N/A SER 63.A N ASN 60.A O no hydrogen 3.226 N/A TYR 65.A N THR 86.A OG1 no hydrogen 2.965 N/A TRP 66.A N SER 33.A O no hydrogen 2.842 N/A TYR 67.A N ALA 84.A O no hydrogen 2.674 N/A TYR 67.A OH ASP 56.A OD2 no hydrogen 2.526 N/A TRP 68.A N TYR 31.A O no hydrogen 3.043 N/A VAL 69.A N SER 81.A OG no hydrogen 3.024 N/A ASP 70.A N ASP 29.A O no hydrogen 2.842 N/A THR 71.A N LEU 79.A O no hydrogen 2.942 N/A VAL 72.A N ARG 27.A O no hydrogen 2.856 N/A SER 73.A N SER 77.A O no hydrogen 2.879 N/A SER 73.A OG GLY 23.A O no hydrogen 2.427 N/A GLY 74.A N ASN 24.A O no hydrogen 3.116 N/A ASN 76.A N SER 73.A O no hydrogen 3.234 N/A SER 77.A N ASN 75.A OD1 no hydrogen 3.089 N/A SER 77.A OG ASN 75.A OD1 no hydrogen 2.529 N/A LEU 79.A N THR 71.A O no hydrogen 2.988 N/A SER 81.A N VAL 69.A O no hydrogen 3.021 N/A SER 81.A OG ASN 82.A O no hydrogen 2.700 N/A ASN 82.A ND2 LEU 5.A O no hydrogen 3.198 N/A ASN 82.A ND2 ALA 83.A O no hydrogen 2.901 N/A ALA 84.A N TYR 67.A O no hydrogen 2.907 N/A SER 85.A OG TYR 65.A O no hydrogen 2.954 N/A THR 86.A N TYR 65.A O no hydrogen 3.073 N/A ALA 87.A N SER 85.A OG no hydrogen 2.950 N/A LYS 97.A NZ ASP 115.A OD2 no hydrogen 2.760 N/A SER 100.A N ASP 115.A O no hydrogen 2.829 N/A GLU 102.A N SER 100.A OG no hydrogen 3.168 N/A CYS 103.A N SER 100.A O no hydrogen 3.000 N/A GLY 106.A N VAL 135.A O no hydrogen 2.787 N/A ALA 107.A N LYS 104.A O no hydrogen 3.019 N/A ILE 109.A N THR 137.A O no hydrogen 2.676 N/A LYS 110.A NZ ASP 111.A OD2 no hydrogen 2.789 N/A ASP 111.A N GLU 139.A O no hydrogen 2.853 N/A LYS 112.A NZ GLU 102.A OE2 no hydrogen 3.162 N/A VAL 114.A N THR 142.A O no hydrogen 2.798 N/A CYS 116.A N LYS 144.A O no hydrogen 2.822 N/A GLY 117.A N ASP 115.A OD1 no hydrogen 2.885 N/A GLY 118.A N ASN 145.A O no hydrogen 2.855 N/A ILE 119.A N CYS 116.A O no hydrogen 3.243 N/A LEU 121.A N ARG 147.A O no hydrogen 2.887 N/A LEU 123.A N SER 154.A OG no hydrogen 3.368 N/A CYS 125.A SG GLY 152.A O no hydrogen 3.878 N/A CYS 125.A SG GLY 153.A O no hydrogen 3.807 N/A SER 126.A N ASP 155.A OD1 no hydrogen 2.819 N/A SER 129.A OG CYS 125.A O no hydrogen 2.200 N/A GLN 132.A NE2 SER 124.A O no hydrogen 3.194 N/A VAL 135.A N GLY 156.A O no hydrogen 3.181 N/A THR 137.A N ALA 107.A O no hydrogen 2.806 N/A LEU 138.A N HIS 158.A O no hydrogen 2.800 N/A GLU 139.A N ILE 109.A O no hydrogen 2.814 N/A ASN 140.A N SER 161.A O no hydrogen 2.773 N/A ASN 140.A ND2 ASP 111.A OD1 no hydrogen 3.203 N/A THR 142.A N LYS 112.A O no hydrogen 2.826 N/A ILE 143.A N ARG 165.A O no hydrogen 2.927 N/A LYS 144.A N VAL 114.A O no hydrogen 2.848 N/A ASN 145.A N GLU 167.A O no hydrogen 2.987 N/A ASN 145.A ND2 ASP 115.A OD1 no hydrogen 2.982 N/A ASN 145.A ND2 ASP 115.A OD2 no hydrogen 3.507 N/A LEU 146.A N ASN 168.A O no hydrogen 3.304 N/A ARG 147.A N ILE 119.A O no hydrogen 2.917 N/A ARG 147.A NH1 LEU 7.A O no hydrogen 3.149 N/A ARG 147.A NH1 GLU 172.A OE2 no hydrogen 2.815 N/A ARG 147.A NH2 LEU 7.A O no hydrogen 2.842 N/A ILE 148.A N ILE 170.A O no hydrogen 2.914 N/A SER 149.A N LEU 121.A O no hydrogen 2.835 N/A SER 149.A OG ASP 173.A OD2 no hydrogen 2.787 N/A GLU 150.A N ASP 173.A OD2 no hydrogen 3.365 N/A GLY 153.A N GLU 150.A O no hydrogen 2.830 N/A SER 154.A N ASP 173.A O no hydrogen 3.357 N/A SER 154.A OG LEU 123.A O no hydrogen 3.181 N/A SER 154.A OG ASP 155.A O no hydrogen 2.672 N/A ASP 155.A N LEU 123.A O no hydrogen 2.840 N/A ILE 157.A N ALA 178.A O no hydrogen 2.793 N/A HIS 158.A N ILE 136.A O no hydrogen 3.047 N/A CYS 159.A N THR 180.A O no hydrogen 2.851 N/A CYS 159.A SG SER 161.A O no hydrogen 4.046 N/A CYS 159.A SG GLY 162.A O no hydrogen 3.594 N/A CYS 159.A SG ASN 181.A OD1 no hydrogen 3.826 N/A LYS 160.A N LEU 138.A O no hydrogen 2.858 N/A SER 161.A OG GLU 139.A OE2 no hydrogen 3.492 N/A ASN 163.A N ASN 140.A OD1 no hydrogen 3.241 N/A CYS 164.A N THR 185.A O no hydrogen 2.867 N/A CYS 164.A SG LEU 138.A O no hydrogen 3.563 N/A CYS 164.A SG SER 161.A O no hydrogen 3.744 N/A ARG 165.A N ALA 141.A O no hydrogen 2.979 N/A ARG 165.A NE GLU 167.A OE2 no hydrogen 2.568 N/A ILE 166.A N THR 187.A O no hydrogen 2.833 N/A GLU 167.A N ILE 143.A O no hydrogen 2.857 N/A ASN 168.A N VAL 189.A O no hydrogen 3.023 N/A ASN 168.A ND2 ASN 145.A OD1 no hydrogen 2.809 N/A ILE 170.A N LEU 146.A O no hydrogen 2.852 N/A TRP 171.A N VAL 192.A O no hydrogen 2.706 N/A GLU 172.A N ILE 148.A O no hydrogen 3.007 N/A CYS 175.A N SER 154.A O no hydrogen 3.247 N/A ALA 179.A N VAL 207.A O no hydrogen 3.055 N/A THR 180.A N ILE 157.A O no hydrogen 2.963 N/A ASN 181.A N GLN 209.A O no hydrogen 2.776 N/A ASN 181.A ND2 LYS 184.A O no hydrogen 3.076 N/A LEU 182.A N CYS 159.A O no hydrogen 2.734 N/A GLY 183.A N ASN 181.A OD1 no hydrogen 2.794 N/A LYS 184.A N GLY 162.A O no hydrogen 2.797 N/A THR 185.A N ASN 163.A OD1 no hydrogen 3.238 N/A MET 186.A N HIS 216.A O no hydrogen 2.875 N/A THR 187.A N CYS 164.A O no hydrogen 2.812 N/A ILE 188.A N ILE 218.A O no hydrogen 2.765 N/A VAL 189.A N ILE 166.A O no hydrogen 3.014 N/A GLY 190.A N GLN 220.A O no hydrogen 2.811 N/A VAL 192.A N VAL 169.A O no hydrogen 3.013 N/A ALA 193.A N THR 224.A O no hydrogen 2.778 N/A HIS 194.A N TRP 171.A O no hydrogen 2.621 N/A HIS 194.A ND1 GLU 172.A O no hydrogen 2.907 N/A ASN 195.A N THR 226.A O no hydrogen 3.431 N/A THR 197.A OG1 ASN 195.A OD1 no hydrogen 2.162 N/A THR 197.A OG1 GLN 228.A O no hydrogen 2.542 N/A ASN 198.A N THR 196.A O no hydrogen 2.654 N/A LYS 206.A N GLU 176.A O no hydrogen 2.699 N/A VAL 207.A N LYS 231.A O no hydrogen 3.012 N/A LEU 208.A N LEU 232.A O no hydrogen 2.740 N/A GLN 209.A N ALA 179.A O no hydrogen 2.854 N/A GLN 209.A NE2 ASN 211.A OD1 no hydrogen 3.243 N/A GLN 210.A N ARG 234.A O no hydrogen 2.944 N/A GLN 210.A NE2 SER 215.A OG no hydrogen 2.527 N/A GLN 210.A NE2 ASN 247.A O no hydrogen 3.196 N/A ASN 211.A N ASN 181.A O no hydrogen 3.083 N/A ALA 212.A N ASN 181.A O no hydrogen 3.380 N/A LYS 213.A NZ ASN 241.A O no hydrogen 2.827 N/A SER 215.A OG ALA 212.A O no hydrogen 2.510 N/A HIS 216.A N LYS 184.A O no hydrogen 2.963 N/A HIS 216.A NE2 THR 249.A OG1 no hydrogen 2.610 N/A THR 217.A N ASN 247.A O no hydrogen 2.904 N/A THR 217.A OG1 GLN 210.A OE1 no hydrogen 2.411 N/A ILE 218.A N MET 186.A O no hydrogen 2.771 N/A VAL 219.A N THR 249.A O no hydrogen 2.787 N/A GLN 220.A N ILE 188.A O no hydrogen 2.813 N/A ASN 222.A N SER 252.A OG no hydrogen 2.930 N/A THR 224.A N GLY 191.A O no hydrogen 3.016 N/A THR 224.A OG1 THR 53.A OG1 no hydrogen 3.370 N/A THR 224.A OG1 ASN 222.A O no hydrogen 2.914 N/A LEU 225.A N THR 254.A O no hydrogen 2.759 N/A THR 226.A N ALA 193.A O no hydrogen 2.972 N/A THR 226.A OG1 TYR 15.A OH no hydrogen 2.561 N/A GLN 228.A N ASN 195.A O no hydrogen 2.772 N/A HIS 229.A N THR 258.A O no hydrogen 2.923 N/A HIS 229.A ND1 ASP 205.A OD1 no hydrogen 3.200 N/A HIS 229.A ND1 ASP 205.A OD2 no hydrogen 2.720 N/A HIS 229.A NE2 ALA 193.A O no hydrogen 3.057 N/A HIS 229.A NE2 THR 226.A O no hydrogen 2.667 N/A GLY 230.A N ASP 205.A OD1 no hydrogen 2.945 N/A LYS 231.A N ASP 205.A O no hydrogen 3.001 N/A LEU 232.A N ILE 262.A O no hydrogen 3.018 N/A TRP 233.A N ILE 262.A O no hydrogen 3.012 N/A TRP 233.A NE1 GLN 210.A OE1 no hydrogen 2.917 N/A ARG 234.A N LEU 208.A O no hydrogen 2.894 N/A ARG 234.A NH1 GLY 264.A O no hydrogen 3.526 N/A ARG 234.A NH1 ASN 266.A OD1 no hydrogen 3.028 N/A ARG 234.A NH2 SER 304.A OG no hydrogen 2.904 N/A SER 235.A N GLY 264.A O no hydrogen 3.050 N/A SER 235.A OG ASP 271.A OD2 no hydrogen 2.748 N/A CYS 236.A N GLN 210.A O no hydrogen 2.904 N/A ASN 241.A N GLU 298.A OE2 no hydrogen 2.660 N/A ASN 242.A N GLU 298.A OE1 no hydrogen 2.880 N/A ASN 242.A ND2 CYS 236.A O no hydrogen 3.094 N/A ASN 242.A ND2 VAL 297.A O no hydrogen 2.925 N/A GLY 243.A N ASN 242.A OD1 no hydrogen 2.896 N/A ARG 246.A N ASP 271.A OD1 no hydrogen 2.742 N/A ARG 246.A NE ALA 212.A O no hydrogen 2.941 N/A ARG 246.A NH1 SER 235.A OG no hydrogen 2.981 N/A ARG 246.A NH1 CYS 236.A O no hydrogen 3.234 N/A ARG 246.A NH1 ASN 242.A OD1 no hydrogen 3.002 N/A ARG 246.A NH2 ASN 211.A O no hydrogen 2.774 N/A ARG 246.A NH2 ASN 242.A OD1 no hydrogen 3.024 N/A ASN 247.A N SER 215.A O no hydrogen 2.930 N/A LEU 248.A N VAL 272.A O no hydrogen 2.956 N/A THR 249.A N THR 217.A O no hydrogen 2.838 N/A THR 249.A OG1 HIS 216.A NE2 no hydrogen 2.610 N/A ILE 250.A N GLU 274.A O no hydrogen 2.776 N/A ILE 251.A N VAL 219.A O no hydrogen 2.635 N/A SER 252.A N VAL 219.A O no hydrogen 3.389 N/A ALA 253.A N ASP 277.A O no hydrogen 3.358 N/A THR 254.A N PHE 223.A O no hydrogen 2.836 N/A THR 254.A OG1 ASN 222.A OD1 no hydrogen 2.418 N/A VAL 255.A N ARG 279.A O no hydrogen 2.739 N/A ASN 256.A N LEU 225.A O no hydrogen 2.732 N/A ASN 256.A ND2 TYR 15.A OH no hydrogen 2.796 N/A THR 258.A N GLN 228.A OE1 no hydrogen 3.145 N/A THR 258.A OG1 GLN 228.A OE1 no hydrogen 2.656 N/A ASP 260.A N GLY 230.A O no hydrogen 2.989 N/A SER 261.A N GLY 230.A O no hydrogen 3.207 N/A ILE 262.A N PRO 289.A O no hydrogen 3.165 N/A ILE 262.A N VAL 290.A O no hydrogen 3.133 N/A ALA 263.A N VAL 290.A O no hydrogen 2.869 N/A GLY 264.A N TRP 233.A O no hydrogen 3.061 N/A VAL 265.A N GLU 292.A O no hydrogen 2.949 N/A ASN 266.A N ASP 271.A OD2 no hydrogen 2.854 N/A ASN 266.A ND2 CYS 236.A O no hydrogen 2.932 N/A ARG 267.A N PHE 294.A O no hydrogen 2.961 N/A ASN 268.A ND2 GLY 296.A O no hydrogen 2.624 N/A PHE 269.A N ASN 266.A O no hydrogen 3.245 N/A GLY 270.A N ARG 267.A O no hydrogen 3.254 N/A ASP 271.A N ASN 266.A O no hydrogen 3.388 N/A VAL 272.A N ASN 247.A OD1 no hydrogen 3.121 N/A ALA 273.A N ASN 315.A O no hydrogen 2.873 N/A GLU 274.A N LEU 248.A O no hydrogen 2.717 N/A ILE 275.A N LYS 317.A O no hydrogen 3.252 N/A ARG 276.A N ILE 250.A O no hydrogen 3.003 N/A LEU 278.A N ASN 322.A O no hydrogen 2.937 N/A ARG 279.A N ALA 253.A O no hydrogen 3.026 N/A ARG 279.A NH1 LEU 278.A O no hydrogen 3.011 N/A ILE 280.A N LYS 324.A O no hydrogen 2.900 N/A LYS 281.A N VAL 255.A O no hydrogen 2.893 N/A TYR 283.A N ILE 280.A O no hydrogen 3.110 N/A LYS 284.A N LYS 287.A O no hydrogen 3.225 N/A LYS 287.A N LYS 284.A O no hydrogen 2.777 N/A VAL 290.A N GLU 309.A OE2 no hydrogen 3.343 N/A GLU 292.A N ALA 263.A O no hydrogen 2.774 N/A GLU 293.A N GLY 308.A O no hydrogen 3.027 N/A PHE 294.A N VAL 265.A O no hydrogen 2.614 N/A ASN 295.A N ASP 305.A O no hydrogen 3.204 N/A GLY 296.A N ASN 268.A OD1 no hydrogen 2.645 N/A VAL 297.A N GLY 237.A O no hydrogen 2.864 N/A LYS 299.A N CYS 239.A O no hydrogen 3.060 N/A LYS 301.A N GLU 298.A O no hydrogen 3.120 N/A SER 304.A OG ASN 295.A O no hydrogen 2.826 N/A TYR 307.A N GLU 293.A O no hydrogen 2.954 N/A PHE 310.A N CYS 291.A O no hydrogen 2.941 N/A ASP 312.A N VAL 318.A O no hydrogen 2.953 N/A THR 313.A N CYS 316.A O no hydrogen 3.055 N/A THR 313.A OG1 GLU 293.A OE2 no hydrogen 3.222 N/A ASN 315.A ND2 ASP 271.A O no hydrogen 2.708 N/A CYS 316.A N THR 313.A OG1 no hydrogen 2.920 N/A CYS 316.A SG CYS 291.A O no hydrogen 3.625 N/A CYS 316.A SG GLU 293.A OE2 no hydrogen 3.809 N/A LYS 317.A N ALA 273.A O no hydrogen 2.874 N/A VAL 318.A N CYS 316.A O no hydrogen 2.864 N/A SER 319.A N ASN 322.A OD1 no hydrogen 2.649 N/A SER 319.A OG ASP 312.A OD1 no hydrogen 2.642 N/A ASN 322.A N SER 319.A O no hydrogen 2.900 N/A VAL 323.A N ARG 320.A O no hydrogen 3.203 N/A LYS 324.A N LEU 278.A O no hydrogen 2.996 N/A