Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4e21_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG GLY 20.A O no hydrogen 3.322 N/A ILE 3.A N GLU 22.A O no hydrogen 2.678 N/A GLY 4.A N VAL 59.A O no hydrogen 3.027 N/A GLY 6.A N TYR 26.A O no hydrogen 3.082 N/A LEU 7.A N ASP 27.A OD2 no hydrogen 2.859 N/A ARG 9.A NE ASP 12.A OD1 no hydrogen 3.477 N/A ARG 9.A NE ASP 12.A OD2 no hydrogen 2.968 N/A ALA 11.A N GLY 8.A O no hydrogen 2.893 N/A ASP 12.A N ARG 9.A O no hydrogen 2.845 N/A ARG 14.A N ALA 11.A O no hydrogen 2.998 N/A ARG 14.A NE GLU 39.A OE1 no hydrogen 3.023 N/A ARG 14.A NE GLU 39.A OE2 no hydrogen 3.469 N/A ARG 14.A NH1 ASP 12.A OD1 no hydrogen 2.800 N/A ARG 14.A NH2 GLU 39.A OE2 no hydrogen 3.028 N/A ARG 15.A N ASP 12.A O no hydrogen 2.961 N/A ARG 15.A NE THR 142.A O no hydrogen 2.829 N/A ARG 15.A NE LEU 143.A O no hydrogen 3.188 N/A ARG 15.A NH1 LEU 119.A O no hydrogen 2.758 N/A ARG 15.A NH2 THR 142.A O no hydrogen 3.463 N/A ARG 15.A NH2 ALA 144.A O no hydrogen 3.069 N/A ARG 17.A N VAL 13.A O no hydrogen 3.072 N/A ARG 17.A NH1 GLU 39.A O no hydrogen 2.802 N/A ARG 17.A NH2 GLU 39.A O no hydrogen 2.606 N/A LYS 18.A N ARG 14.A O no hydrogen 2.992 N/A LYS 18.A NZ LEU 119.A O no hydrogen 3.345 N/A GLY 19.A N LEU 16.A O no hydrogen 2.974 N/A GLY 20.A N ARG 17.A O no hydrogen 2.764 N/A HIS 21.A N LEU 16.A O no hydrogen 3.156 N/A HIS 21.A NE2 THR 142.A OG1 no hydrogen 2.835 N/A VAL 24.A N ILE 3.A O no hydrogen 3.010 N/A VAL 25.A N ALA 42.A O no hydrogen 2.955 N/A ASN 29.A N ASP 27.A OD1 no hydrogen 2.742 N/A ALA 32.A N ASN 29.A OD1 no hydrogen 2.956 N/A VAL 33.A N ASN 29.A O no hydrogen 3.159 N/A GLN 34.A N VAL 30.A O no hydrogen 2.710 N/A ALA 35.A N ASN 31.A O no hydrogen 2.760 N/A LEU 36.A N ALA 32.A O no hydrogen 3.504 N/A GLU 37.A N VAL 33.A O no hydrogen 3.091 N/A ARG 38.A N GLN 34.A O no hydrogen 2.874 N/A GLU 39.A N LEU 36.A O no hydrogen 2.940 N/A GLY 40.A N GLU 37.A O no hydrogen 2.758 N/A ILE 41.A N LEU 36.A O no hydrogen 3.180 N/A ARG 45.A N GLU 49.A OE1 no hydrogen 2.835 N/A ARG 45.A NH1 GLU 49.A OE1 no hydrogen 2.972 N/A ARG 45.A NH1 GLU 49.A OE2 no hydrogen 2.900 N/A SER 46.A OG GLU 48.A OE1 no hydrogen 3.162 N/A GLU 48.A N GLU 48.A OE1 no hydrogen 2.700 N/A GLU 49.A N SER 46.A OG no hydrogen 3.018 N/A PHE 50.A N SER 46.A O no hydrogen 3.071 N/A CYS 51.A N ILE 47.A O no hydrogen 3.093 N/A CYS 51.A SG ILE 47.A O no hydrogen 3.278 N/A ALA 52.A N GLU 48.A O no hydrogen 2.877 N/A LYS 53.A N GLU 49.A O no hydrogen 2.750 N/A LYS 53.A N PHE 50.A O no hydrogen 3.083 N/A LYS 53.A NZ GLY 43.A O no hydrogen 2.854 N/A LEU 54.A N CYS 51.A O no hydrogen 3.328 N/A ARG 58.A N ASP 81.A OD1 no hydrogen 2.676 N/A ARG 58.A NE CYS 51.A O no hydrogen 3.073 N/A ARG 58.A NE LEU 54.A O no hydrogen 3.141 N/A ARG 58.A NH1 ASP 81.A OD2 no hydrogen 2.822 N/A ARG 58.A NH2 CYS 51.A O no hydrogen 3.070 N/A VAL 60.A N ILE 82.A O no hydrogen 2.882 N/A TRP 61.A N GLY 4.A O no hydrogen 2.823 N/A LEU 62.A N ILE 84.A O no hydrogen 2.671 N/A VAL 67.A N PRO 64.A O no hydrogen 2.942 N/A VAL 68.A N ALA 65.A O no hydrogen 3.283 N/A GLN 72.A N ASP 69.A O no hydrogen 2.979 N/A ARG 73.A N SER 70.A O no hydrogen 3.000 N/A THR 74.A OG1 LEU 71.A O no hydrogen 2.624 N/A LEU 77.A N THR 74.A O no hydrogen 2.994 N/A ALA 78.A N ASP 81.A OD2 no hydrogen 2.744 N/A ASN 80.A N GLY 104.A O no hydrogen 2.737 N/A ASP 81.A N ALA 78.A O no hydrogen 2.962 N/A ILE 82.A N ARG 58.A O no hydrogen 2.858 N/A VAL 83.A N THR 106.A O no hydrogen 2.974 N/A ILE 84.A N VAL 60.A O no hydrogen 2.614 N/A ASP 85.A N VAL 108.A O no hydrogen 2.919 N/A GLY 86.A N LEU 62.A O no hydrogen 2.887 N/A GLY 87.A N ASP 85.A OD1 no hydrogen 2.961 N/A SER 89.A OG ASP 85.A OD2 no hydrogen 2.603 N/A GLN 92.A N HIS 90.A ND1 no hydrogen 3.377 N/A GLN 92.A NE2 TYR 91.A OH no hydrogen 3.231 N/A ASP 93.A N HIS 90.A O no hydrogen 2.998 N/A ASP 94.A N HIS 90.A O no hydrogen 3.463 N/A ILE 95.A N TYR 91.A O no hydrogen 3.163 N/A ARG 96.A N GLN 92.A O no hydrogen 3.290 N/A ARG 96.A NH1 ASP 69.A OD1 no hydrogen 3.142 N/A ARG 96.A NH1 ASP 69.A OD2 no hydrogen 3.383 N/A ARG 96.A NH2 ASP 69.A OD2 no hydrogen 2.808 N/A ARG 96.A NH2 ASP 93.A OD1 no hydrogen 3.265 N/A ARG 97.A N ASP 93.A O no hydrogen 2.808 N/A ARG 97.A NE ASP 69.A OD1 no hydrogen 2.678 N/A ARG 97.A NH2 ASP 69.A OD2 no hydrogen 2.994 N/A ALA 98.A N ASP 94.A O no hydrogen 2.796 N/A ASP 99.A N ILE 95.A O no hydrogen 3.339 N/A GLN 100.A N ARG 96.A O no hydrogen 3.144 N/A ALA 102.A N ASP 99.A O no hydrogen 3.315 N/A GLY 104.A N ARG 101.A O no hydrogen 2.958 N/A THR 106.A N ASP 81.A O no hydrogen 3.032 N/A VAL 108.A N VAL 83.A O no hydrogen 2.758 N/A ASP 109.A N GLY 127.A O no hydrogen 2.937 N/A VAL 110.A N ASP 85.A O no hydrogen 2.985 N/A SER 113.A N CYS 124.A O no hydrogen 2.853 N/A SER 113.A OG HIS 182.A NE2 no hydrogen 3.180 N/A PHE 117.A N GLY 114.A O no hydrogen 3.047 N/A GLY 118.A N GLY 115.A O no hydrogen 2.993 N/A ARG 121.A N PHE 117.A O no hydrogen 3.044 N/A GLY 122.A N GLY 118.A O no hydrogen 2.621 N/A TYR 123.A N LEU 143.A O no hydrogen 2.801 N/A CYS 124.A N SER 113.A O no hydrogen 2.968 N/A CYS 124.A SG GLY 166.A O no hydrogen 3.818 N/A LEU 125.A N GLY 166.A O no hydrogen 2.987 N/A GLY 127.A N ASP 109.A O no hydrogen 2.773 N/A GLY 128.A N GLY 171.A O no hydrogen 2.962 N/A GLN 131.A NE2 THR 106.A OG1 no hydrogen 2.779 N/A GLN 131.A NE2 GLU 129.A OE1 no hydrogen 2.753 N/A VAL 133.A N GLU 129.A O no hydrogen 3.162 N/A GLU 134.A N LYS 130.A O no hydrogen 2.856 N/A ARG 135.A N GLN 131.A O no hydrogen 2.990 N/A ARG 135.A NH1 GLN 131.A OE1 no hydrogen 3.044 N/A ARG 135.A NH2 ASN 80.A O no hydrogen 2.855 N/A LEU 136.A N ALA 132.A O no hydrogen 2.884 N/A LEU 136.A N VAL 133.A O no hydrogen 3.126 N/A ASP 137.A N GLU 134.A O no hydrogen 3.140 N/A VAL 139.A N LEU 136.A O no hydrogen 2.766 N/A PHE 140.A N LEU 136.A O no hydrogen 3.241 N/A ARG 141.A N ASP 137.A O no hydrogen 2.941 N/A ARG 141.A NH1 ASP 137.A OD2 no hydrogen 2.707 N/A THR 142.A N PRO 138.A O no hydrogen 3.360 N/A THR 142.A OG1 HIS 21.A NE2 no hydrogen 2.835 N/A THR 142.A OG1 PRO 138.A O no hydrogen 3.048 N/A LEU 143.A N VAL 139.A O no hydrogen 3.089 N/A ALA 144.A N PHE 140.A O no hydrogen 2.846 N/A GLY 146.A N LEU 165.A O no hydrogen 2.942 N/A ALA 149.A N GLY 146.A O no hydrogen 3.088 N/A ALA 150.A N ILE 147.A O no hydrogen 3.299 N/A ARG 152.A NE GLU 164.A OE2 no hydrogen 2.883 N/A ARG 152.A NH2 GLU 164.A OE1 no hydrogen 3.253 N/A ARG 156.A N THR 153.A O no hydrogen 2.861 N/A LYS 158.A N GLY 155.A O no hydrogen 2.788 N/A LYS 158.A NZ GLU 157.A OE2 no hydrogen 2.800 N/A ARG 159.A N ARG 156.A O no hydrogen 2.944 N/A THR 162.A OG1 TYR 167.A O no hydrogen 2.676 N/A LEU 165.A N THR 162.A O no hydrogen 2.733 N/A GLY 166.A N ALA 163.A O no hydrogen 3.256 N/A TYR 167.A OH ASP 137.A OD1 no hydrogen 2.872 N/A TYR 167.A OH ASP 137.A OD2 no hydrogen 3.326 N/A LEU 168.A N LEU 125.A O no hydrogen 3.000 N/A HIS 169.A NE2 GLY 128.A O no hydrogen 2.870 N/A CYS 170.A N ILE 126.A O no hydrogen 2.680 N/A CYS 170.A SG LEU 168.A O no hydrogen 3.624 N/A SER 173.A OG ASP 94.A O no hydrogen 3.147 N/A GLY 174.A N ASP 109.A OD1 no hydrogen 2.620 N/A ALA 175.A N PRO 172.A O no hydrogen 3.050 N/A HIS 177.A N ASP 109.A OD2 no hydrogen 2.881 N/A HIS 177.A ND1 ASP 94.A OD2 no hydrogen 2.523 N/A HIS 177.A NE2 VAL 110.A O no hydrogen 2.948 N/A PHE 178.A N GLY 174.A O no hydrogen 2.779 N/A VAL 179.A N ALA 175.A O no hydrogen 2.960 N/A LYS 180.A N GLY 176.A O no hydrogen 3.032 N/A LYS 180.A NZ THR 112.A O no hydrogen 3.286 N/A HIS 182.A N VAL 179.A O no hydrogen 2.945 N/A HIS 182.A ND1 ASN 183.A OD1 no hydrogen 2.908 N/A ASN 183.A N LYS 180.A O no hydrogen 3.099 N/A ILE 185.A N VAL 181.A O no hydrogen 2.836 N/A GLU 186.A N HIS 182.A O no hydrogen 2.899 N/A TYR 187.A N ASN 183.A O no hydrogen 2.942 N/A GLY 188.A N GLY 184.A O no hydrogen 3.190 N/A LEU 189.A N ILE 185.A O no hydrogen 2.849 N/A ALA 191.A N GLY 188.A O no hydrogen 2.977 N/A TYR 192.A N LEU 189.A O no hydrogen 3.143 N/A TYR 192.A OH ILE 229.A O no hydrogen 2.646 N/A TYR 192.A OH SER 231.A OG no hydrogen 2.799 N/A GLU 194.A N ALA 190.A O no hydrogen 2.907 N/A GLY 195.A N ALA 191.A O no hydrogen 3.065 N/A LEU 196.A N TYR 192.A O no hydrogen 2.789 N/A ASN 197.A N ALA 193.A O no hydrogen 2.926 N/A ILE 198.A N GLU 194.A O no hydrogen 3.010 N/A LEU 199.A N GLY 195.A O no hydrogen 3.202 N/A HIS 200.A N LEU 196.A O no hydrogen 2.840 N/A HIS 201.A N ASN 197.A O no hydrogen 3.140 N/A HIS 201.A ND1 ASN 197.A O no hydrogen 2.852 N/A ALA 202.A N LEU 199.A O no hydrogen 2.968 N/A ASN 203.A ND2 ASP 213.A OD1 no hydrogen 3.294 N/A ALA 204.A N HIS 201.A O no hydrogen 2.980 N/A GLY 205.A N TYR 210.A O no hydrogen 2.633 N/A PHE 209.A N ASN 206.A O no hydrogen 2.862 N/A TYR 210.A N PRO 207.A O no hydrogen 2.927 N/A TYR 212.A N ALA 202.A O no hydrogen 2.993 N/A ASP 218.A N ASP 215.A OD1 no hydrogen 2.691 N/A ILE 219.A N ASP 215.A O no hydrogen 2.818 N/A THR 220.A N LEU 216.A O no hydrogen 2.837 N/A THR 220.A OG1 LEU 216.A O no hydrogen 2.947 N/A THR 220.A OG1 ALA 217.A O no hydrogen 3.011 N/A GLU 221.A N ALA 217.A O no hydrogen 3.032 N/A VAL 222.A N ASP 218.A O no hydrogen 2.798 N/A TRP 223.A N ILE 219.A O no hydrogen 2.992 N/A ARG 224.A N GLU 221.A O no hydrogen 3.041 N/A ARG 224.A NE ASP 235.A OD1 no hydrogen 2.512 N/A ARG 224.A NH1 GLU 221.A OE2 no hydrogen 3.162 N/A ARG 224.A NH2 ASP 235.A OD1 no hydrogen 3.347 N/A ARG 225.A N VAL 222.A O no hydrogen 3.300 N/A ARG 225.A NH1 GLU 221.A OE2 no hydrogen 2.865 N/A SER 227.A OG TRP 223.A O no hydrogen 2.705 N/A ILE 229.A N SER 227.A OG no hydrogen 3.220 N/A SER 231.A OG TYR 192.A OH no hydrogen 2.799 N/A LEU 234.A N SER 231.A OG no hydrogen 2.886 N/A ASP 235.A N SER 231.A O no hydrogen 2.889 N/A LEU 236.A N TRP 232.A O no hydrogen 2.906 N/A SER 237.A N LEU 233.A O no hydrogen 2.992 N/A SER 237.A OG LEU 233.A O no hydrogen 2.956 N/A ALA 238.A N LEU 234.A O no hydrogen 2.864 N/A THR 239.A N ASP 235.A O no hydrogen 3.198 N/A THR 239.A OG1 ASP 235.A O no hydrogen 3.104 N/A ALA 240.A N LEU 236.A O no hydrogen 3.075 N/A LEU 241.A N SER 237.A O no hydrogen 2.966 N/A LEU 242.A N ALA 238.A O no hydrogen 2.938 N/A ASP 243.A N THR 239.A O no hydrogen 3.232 N/A SER 244.A N ALA 240.A O no hydrogen 2.917 N/A SER 244.A OG GLU 249.A OE1 no hydrogen 2.635 N/A SER 244.A OG GLU 249.A OE2 no hydrogen 3.161 N/A LEU 247.A N SER 244.A O no hydrogen 2.680 N/A GLU 249.A N GLU 249.A OE1 no hydrogen 2.503 N/A PHE 250.A N LEU 247.A O no hydrogen 3.242 N/A VAL 252.A N SER 285.A OG no hydrogen 2.879 N/A GLU 257.A N GLU 257.A OE1 no hydrogen 3.047 N/A ARG 259.A NH1 ASP 254.A OD1 no hydrogen 2.924 N/A TRP 260.A N GLY 256.A O no hydrogen 2.764 N/A THR 261.A N GLU 257.A O no hydrogen 2.842 N/A THR 261.A OG1 GLU 257.A O no hydrogen 2.955 N/A VAL 262.A N GLY 258.A O no hydrogen 3.299 N/A ALA 263.A N ARG 259.A O no hydrogen 3.180 N/A ALA 264.A N TRP 260.A O no hydrogen 3.005 N/A ALA 265.A N THR 261.A O no hydrogen 2.944 N/A ILE 266.A N VAL 262.A O no hydrogen 2.926 N/A ASP 267.A N ALA 263.A O no hydrogen 3.032 N/A GLU 268.A N ALA 264.A O no hydrogen 2.967 N/A GLY 269.A N ILE 266.A O no hydrogen 3.339 N/A VAL 270.A N ALA 265.A O no hydrogen 2.894 N/A SER 276.A N ALA 272.A O no hydrogen 2.880 N/A SER 276.A OG ALA 272.A O no hydrogen 2.742 N/A SER 277.A N HIS 273.A O no hydrogen 2.948 N/A SER 277.A OG HIS 273.A O no hydrogen 3.373 N/A ALA 278.A N VAL 274.A O no hydrogen 2.958 N/A LEU 279.A N LEU 275.A O no hydrogen 3.264 N/A TYR 280.A N SER 276.A O no hydrogen 2.810 N/A GLU 281.A N SER 277.A O no hydrogen 2.899 N/A ARG 282.A N ALA 278.A O no hydrogen 3.281 N/A ARG 282.A NH1 SER 253.A O no hydrogen 3.006 N/A PHE 283.A N LEU 279.A O no hydrogen 3.102 N/A SER 284.A N TYR 280.A O no hydrogen 2.876 N/A SER 284.A OG TYR 280.A O no hydrogen 3.228 N/A SER 284.A OG GLU 281.A O no hydrogen 3.076 N/A SER 285.A N GLU 281.A O no hydrogen 2.951 N/A SER 285.A OG ARG 282.A O no hydrogen 2.766 N/A ARG 286.A N PHE 283.A O no hydrogen 2.983 N/A ARG 286.A NE VAL 252.A O no hydrogen 2.839 N/A ARG 286.A NH2 VAL 252.A O no hydrogen 3.261 N/A ARG 286.A NH2 ASP 254.A OD2 no hydrogen 2.329 N/A GLY 287.A N SER 284.A O no hydrogen 2.768 N/A GLU 288.A N PHE 283.A O no hydrogen 3.341 N/A ASP 290.A N GLY 287.A O no hydrogen 2.924 N/A ASN 293.A N ASP 289.A O no hydrogen 3.035 N/A ASN 293.A ND2 ASP 289.A OD2 no hydrogen 2.872 N/A ARG 294.A N ASP 290.A O no hydrogen 3.013 N/A LEU 295.A N PHE 291.A O no hydrogen 3.123 N/A LEU 296.A N ALA 292.A O no hydrogen 3.019 N/A SER 297.A N ASN 293.A O no hydrogen 3.002 N/A SER 297.A OG ASN 293.A O no hydrogen 3.379 N/A ALA 298.A N ARG 294.A O no hydrogen 2.822 N/A