Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ekg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ILE 285.A O no hydrogen 2.833 N/A SER 5.A N LEU 1.A O no hydrogen 3.399 N/A PHE 6.A N ALA 2.A O no hydrogen 3.186 N/A VAL 7.A N TYR 3.A O no hydrogen 3.014 N/A LEU 8.A N ARG 4.A O no hydrogen 2.966 N/A GLY 9.A N SER 5.A O no hydrogen 2.787 N/A VAL 10.A N PHE 6.A O no hydrogen 2.795 N/A ALA 11.A N VAL 7.A O no hydrogen 2.920 N/A HIS 13.A N VAL 10.A O no hydrogen 3.261 N/A GLN 15.A N HIS 13.A ND1 no hydrogen 3.117 N/A GLU 17.A N HIS 13.A O no hydrogen 3.108 N/A ARG 18.A N PRO 14.A O no hydrogen 2.965 N/A LEU 19.A N GLN 15.A O no hydrogen 3.063 N/A ILE 20.A N VAL 16.A O no hydrogen 2.961 N/A LYS 21.A N GLU 17.A O no hydrogen 3.084 N/A HIS 22.A N ARG 18.A O no hydrogen 3.121 N/A ARG 23.A N LEU 19.A O no hydrogen 2.638 N/A ALA 24.A N ILE 20.A O no hydrogen 3.120 N/A LYS 25.A NZ LYS 21.A O no hydrogen 3.363 N/A LYS 25.A NZ HIS 22.A O no hydrogen 3.188 N/A VAL 28.A N ALA 24.A O no hydrogen 3.048 N/A ARG 29.A N LYS 25.A O no hydrogen 2.940 N/A ARG 29.A NH1 GLU 39.A OE2 no hydrogen 3.002 N/A ARG 29.A NH2 GLU 39.A OE2 no hydrogen 3.044 N/A ARG 30.A N LEU 27.A O no hydrogen 3.219 N/A ARG 30.A NE GLY 251.A O no hydrogen 2.839 N/A ARG 30.A NH2 GLY 251.A O no hydrogen 2.953 N/A TYR 31.A N VAL 28.A O no hydrogen 3.024 N/A VAL 32.A N VAL 28.A O no hydrogen 2.992 N/A ALA 33.A N PRO 272.A O no hydrogen 2.976 N/A GLU 35.A N GLU 39.A OE1 no hydrogen 3.137 N/A THR 36.A N GLU 39.A OE1 no hydrogen 3.035 N/A THR 36.A OG1 GLU 39.A OE1 no hydrogen 2.882 N/A GLU 38.A N GLU 38.A OE1 no hydrogen 2.665 N/A GLU 39.A N THR 36.A OG1 no hydrogen 3.223 N/A ALA 40.A N THR 36.A O no hydrogen 3.060 N/A LEU 41.A N LEU 37.A O no hydrogen 2.930 N/A LYS 42.A N GLU 38.A O no hydrogen 3.195 N/A ALA 43.A N GLU 39.A O no hydrogen 2.969 N/A ALA 44.A N ALA 40.A O no hydrogen 2.914 N/A GLU 45.A N LEU 41.A O no hydrogen 2.898 N/A ALA 46.A N LYS 42.A O no hydrogen 3.072 N/A LEU 47.A N ALA 43.A O no hydrogen 3.087 N/A GLU 48.A N ALA 44.A O no hydrogen 2.992 N/A ARG 49.A N GLU 45.A O no hydrogen 3.045 N/A GLU 50.A N LEU 47.A O no hydrogen 2.844 N/A GLY 51.A N GLU 48.A O no hydrogen 3.049 N/A VAL 52.A N LEU 47.A O no hydrogen 3.121 N/A HIS 53.A N VAL 267.A O no hydrogen 2.811 N/A HIS 53.A ND1 GLU 48.A OE2 no hydrogen 2.685 N/A ILE 55.A N ALA 269.A O no hydrogen 2.867 N/A LEU 56.A N TYR 91.A O no hydrogen 2.891 N/A ASP 57.A N VAL 271.A O no hydrogen 2.867 N/A LEU 59.A N TYR 273.A O no hydrogen 2.666 N/A VAL 63.A N GLN 97.A OE1 no hydrogen 2.965 N/A ARG 64.A N GLU 68.A OE1 no hydrogen 2.835 N/A GLU 67.A N GLU 67.A OE1 no hydrogen 2.677 N/A GLU 68.A N THR 65.A OG1 no hydrogen 3.110 N/A ALA 69.A N THR 65.A O no hydrogen 2.968 N/A ARG 70.A N GLU 66.A O no hydrogen 2.947 N/A ARG 70.A NE GLU 66.A OE2 no hydrogen 2.890 N/A ARG 70.A NH2 GLU 66.A OE2 no hydrogen 2.776 N/A ALA 71.A N GLU 67.A O no hydrogen 2.929 N/A PHE 72.A N GLU 68.A O no hydrogen 2.968 N/A GLN 73.A N ALA 69.A O no hydrogen 2.932 N/A GLN 73.A NE2 LEU 110.A O no hydrogen 3.006 N/A GLN 73.A NE2 GLU 113.A OE1 no hydrogen 3.008 N/A ARG 74.A N ARG 70.A O no hydrogen 2.923 N/A GLY 75.A N ALA 71.A O no hydrogen 3.154 N/A LEU 76.A N PHE 72.A O no hydrogen 3.022 N/A LEU 77.A N GLN 73.A O no hydrogen 2.857 N/A GLU 78.A N ARG 74.A O no hydrogen 2.986 N/A LEU 79.A N GLY 75.A O no hydrogen 3.135 N/A VAL 80.A N LEU 76.A O no hydrogen 2.942 N/A TRP 81.A N LEU 77.A O no hydrogen 2.815 N/A TRP 81.A NE1 GLU 117.A OE1 no hydrogen 2.931 N/A ALA 82.A N GLU 78.A O no hydrogen 2.961 N/A LEU 83.A N LEU 79.A O no hydrogen 2.929 N/A LYS 86.A N LEU 83.A O no hydrogen 3.095 N/A TRP 88.A NE1 GLU 45.A OE1 no hydrogen 3.041 N/A LYS 90.A NZ LYS 86.A O no hydrogen 2.793 N/A LYS 90.A NZ TRP 88.A O no hydrogen 2.931 N/A TYR 91.A OH GLN 247.A OE1 no hydrogen 2.952 N/A ILE 92.A N PHE 124.A O no hydrogen 2.856 N/A SER 93.A N LEU 56.A O no hydrogen 3.117 N/A SER 93.A OG ASP 128.A OD1 no hydrogen 2.564 N/A SER 93.A OG ASP 128.A OD2 no hydrogen 3.507 N/A LEU 94.A N ARG 126.A O no hydrogen 2.983 N/A LEU 95.A N GLU 130.A OE2 no hydrogen 3.184 N/A THR 96.A N GLU 130.A OE2 no hydrogen 3.050 N/A THR 96.A OG1 GLU 130.A OE1 no hydrogen 2.564 N/A THR 96.A OG1 GLU 130.A OE2 no hydrogen 3.277 N/A GLN 97.A NE2 GLU 61.A O no hydrogen 3.138 N/A LEU 98.A N LEU 95.A O no hydrogen 2.916 N/A GLY 99.A N THR 96.A O no hydrogen 3.071 N/A LEU 100.A N LEU 95.A O no hydrogen 3.132 N/A LEU 102.A N GLY 99.A O no hydrogen 2.779 N/A SER 103.A N GLY 99.A O no hydrogen 2.951 N/A LEU 106.A N SER 103.A OG no hydrogen 3.034 N/A ALA 107.A N SER 103.A O no hydrogen 3.154 N/A LEU 108.A N GLU 104.A O no hydrogen 2.939 N/A ALA 109.A N ASP 105.A O no hydrogen 2.946 N/A LEU 110.A N LEU 106.A O no hydrogen 2.905 N/A LEU 111.A N ALA 107.A O no hydrogen 2.783 N/A ARG 112.A N LEU 108.A O no hydrogen 2.818 N/A ARG 112.A NE GLU 148.A OE1 no hydrogen 2.769 N/A ARG 112.A NE GLU 148.A OE2 no hydrogen 3.489 N/A ARG 112.A NH2 GLU 148.A OE2 no hydrogen 3.044 N/A GLU 113.A N ALA 109.A O no hydrogen 3.260 N/A VAL 114.A N LEU 110.A O no hydrogen 3.237 N/A LEU 115.A N LEU 111.A O no hydrogen 2.934 N/A ARG 116.A N ARG 112.A O no hydrogen 2.856 N/A GLU 117.A N GLU 113.A O no hydrogen 3.135 N/A ALA 118.A N VAL 114.A O no hydrogen 2.821 N/A GLU 119.A N LEU 115.A O no hydrogen 2.945 N/A ARG 121.A N ALA 118.A O no hydrogen 3.013 N/A ARG 121.A NH1 GLU 117.A O no hydrogen 2.929 N/A GLY 122.A N GLU 119.A O no hydrogen 3.049 N/A VAL 123.A N ALA 118.A O no hydrogen 3.014 N/A PHE 124.A N LYS 90.A O no hydrogen 2.855 N/A VAL 125.A N GLN 152.A O no hydrogen 2.990 N/A ARG 126.A N ILE 92.A O no hydrogen 2.810 N/A ARG 126.A NE TYR 91.A OH no hydrogen 2.684 N/A ARG 126.A NH1 ILE 155.A O no hydrogen 3.316 N/A ARG 126.A NH1 ASN 177.A OD1 no hydrogen 2.932 N/A ARG 126.A NH2 TYR 91.A OH no hydrogen 2.846 N/A ARG 126.A NH2 ASN 177.A OD1 no hydrogen 3.074 N/A LEU 127.A N GLY 154.A O no hydrogen 2.944 N/A ASP 128.A N LEU 94.A O no hydrogen 2.827 N/A SER 132.A N GLU 187.A OE2 no hydrogen 2.831 N/A SER 132.A OG GLU 187.A OE1 no hydrogen 2.797 N/A SER 132.A OG GLU 187.A OE2 no hydrogen 3.379 N/A ARG 134.A N ASP 131.A O no hydrogen 2.959 N/A ARG 134.A NE ASP 101.A OD1 no hydrogen 3.035 N/A ARG 134.A NH1 ASP 131.A OD1 no hydrogen 2.646 N/A ARG 134.A NH2 ASP 101.A OD1 no hydrogen 3.458 N/A ARG 134.A NH2 ASP 101.A OD2 no hydrogen 2.648 N/A VAL 135.A N SER 132.A O no hydrogen 3.260 N/A THR 138.A N ARG 134.A O no hydrogen 3.087 N/A THR 138.A OG1 ARG 134.A O no hydrogen 2.774 N/A LEU 139.A N VAL 135.A O no hydrogen 2.976 N/A ARG 140.A N GLU 136.A O no hydrogen 2.922 N/A ARG 140.A NE GLU 104.A OE1 no hydrogen 3.004 N/A ARG 140.A NH2 GLU 104.A OE2 no hydrogen 2.817 N/A LEU 141.A N ALA 137.A O no hydrogen 2.930 N/A TYR 142.A N THR 138.A O no hydrogen 2.948 N/A ARG 143.A N LEU 139.A O no hydrogen 2.909 N/A ALA 144.A N ARG 140.A O no hydrogen 3.070 N/A LEU 145.A N LEU 141.A O no hydrogen 3.063 N/A ARG 146.A N TYR 142.A O no hydrogen 2.960 N/A ARG 146.A NE PHE 150.A O no hydrogen 2.863 N/A ARG 146.A NH2 TYR 142.A OH no hydrogen 2.902 N/A ARG 146.A NH2 TYR 174.A O no hydrogen 2.636 N/A GLU 147.A N ARG 143.A O no hydrogen 2.951 N/A GLU 148.A N ALA 144.A O no hydrogen 3.067 N/A GLY 149.A N ARG 146.A O no hydrogen 2.908 N/A PHE 150.A N LEU 145.A O no hydrogen 3.115 N/A SER 151.A N GLU 119.A OE1 no hydrogen 2.918 N/A GLN 152.A N GLU 119.A OE1 no hydrogen 3.053 N/A GLN 152.A NE2 SER 151.A OG no hydrogen 2.916 N/A GLY 154.A N VAL 125.A O no hydrogen 2.935 N/A ILE 155.A N ASN 177.A O no hydrogen 3.154 N/A LEU 157.A N ARG 179.A O no hydrogen 2.906 N/A GLN 158.A NE2 GLU 130.A O no hydrogen 3.095 N/A SER 159.A N VAL 181.A O no hydrogen 2.841 N/A SER 159.A OG ILE 199.A O no hydrogen 3.071 N/A TYR 160.A N LYS 182.A O no hydrogen 2.943 N/A LEU 161.A N GLN 158.A O no hydrogen 3.426 N/A TYR 162.A N VAL 191.A O no hydrogen 3.161 N/A TYR 162.A OH LYS 189.A O no hydrogen 2.887 N/A ARG 163.A NE ASP 167.A OD1 no hydrogen 3.369 N/A ARG 163.A NE ASP 167.A OD2 no hydrogen 2.687 N/A ARG 163.A NH1 GLU 136.A OE1 no hydrogen 3.008 N/A ARG 163.A NH1 GLU 136.A OE2 no hydrogen 3.489 N/A ARG 163.A NH1 ASP 167.A OD1 no hydrogen 2.946 N/A ARG 163.A NH2 GLU 136.A OE1 no hydrogen 3.010 N/A THR 164.A N LEU 161.A O no hydrogen 3.204 N/A THR 164.A OG1 GLN 158.A O no hydrogen 2.738 N/A THR 164.A OG1 LEU 161.A O no hydrogen 3.536 N/A LYS 166.A NZ ASP 170.A OD2 no hydrogen 3.004 N/A ASP 167.A N ARG 163.A O no hydrogen 3.031 N/A LEU 168.A N THR 164.A O no hydrogen 2.851 N/A LEU 169.A N GLU 165.A O no hydrogen 2.883 N/A ASP 170.A N LYS 166.A O no hydrogen 2.786 N/A LEU 171.A N ASP 167.A O no hydrogen 2.998 N/A LEU 171.A N LEU 168.A O no hydrogen 3.202 N/A LEU 172.A N LEU 169.A O no hydrogen 3.254 N/A TYR 174.A N LEU 171.A O no hydrogen 2.894 N/A TYR 174.A OH GLU 147.A OE2 no hydrogen 2.615 N/A ARG 175.A N LEU 172.A O no hydrogen 2.902 N/A ARG 175.A NH1 GLU 213.A O no hydrogen 2.726 N/A ARG 175.A NH2 GLU 213.A O no hydrogen 3.436 N/A LEU 178.A N TYR 216.A O no hydrogen 3.102 N/A ARG 179.A N ILE 155.A O no hydrogen 2.889 N/A ARG 179.A NH1 ASP 128.A OD1 no hydrogen 2.809 N/A ARG 179.A NH2 TYR 91.A OH no hydrogen 3.004 N/A ARG 179.A NH2 SER 93.A OG no hydrogen 2.979 N/A LEU 180.A N ALA 218.A O no hydrogen 2.799 N/A VAL 181.A N LEU 157.A O no hydrogen 2.998 N/A LYS 182.A NZ ASP 200.A OD1 no hydrogen 2.842 N/A LYS 182.A NZ ASP 223.A OD2 no hydrogen 2.714 N/A TYR 185.A N TYR 160.A OH no hydrogen 2.919 N/A LYS 189.A NZ GLU 190.A OE2 no hydrogen 2.690 N/A VAL 191.A N PRO 188.A O no hydrogen 3.015 N/A ALA 192.A N PRO 188.A O no hydrogen 3.057 N/A PHE 193.A N TYR 160.A O no hydrogen 2.923 N/A ARG 197.A N ASP 195.A OD1 no hydrogen 2.963 N/A LEU 198.A N ASP 195.A O no hydrogen 2.990 N/A ILE 199.A N ASP 195.A O no hydrogen 3.087 N/A ASP 200.A N LYS 196.A O no hydrogen 2.948 N/A ALA 201.A N ARG 197.A O no hydrogen 2.958 N/A GLU 202.A N LEU 198.A O no hydrogen 2.870 N/A TYR 203.A N ILE 199.A O no hydrogen 2.993 N/A TYR 203.A OH LEU 180.A O no hydrogen 2.807 N/A LEU 204.A N ASP 200.A O no hydrogen 3.137 N/A HIS 205.A N ALA 201.A O no hydrogen 2.948 N/A HIS 205.A NE2 GLU 165.A OE1 no hydrogen 2.724 N/A LEU 206.A N GLU 202.A O no hydrogen 2.824 N/A GLY 207.A N TYR 203.A O no hydrogen 2.946 N/A LYS 208.A N LEU 204.A O no hydrogen 2.989 N/A LYS 208.A NZ GLU 229.A OE2 no hydrogen 2.849 N/A LEU 209.A N HIS 205.A O no hydrogen 2.906 N/A ALA 210.A N LEU 206.A O no hydrogen 2.871 N/A LEU 211.A N GLY 207.A O no hydrogen 3.037 N/A LYS 212.A N LYS 208.A O no hydrogen 2.944 N/A GLU 213.A N LEU 209.A O no hydrogen 2.908 N/A GLY 214.A N LEU 211.A O no hydrogen 2.889 N/A LEU 215.A N ALA 210.A O no hydrogen 2.995 N/A TYR 216.A OH GLU 245.A OE1 no hydrogen 2.466 N/A ALA 218.A N LEU 178.A O no hydrogen 2.780 N/A PHE 219.A N GLU 245.A O no hydrogen 2.784 N/A ALA 220.A N LEU 180.A O no hydrogen 3.011 N/A THR 221.A N GLN 247.A O no hydrogen 3.266 N/A ASP 223.A N THR 221.A OG1 no hydrogen 3.117 N/A ARG 225.A N ASP 223.A OD1 no hydrogen 2.944 N/A ILE 226.A N ASP 223.A OD1 no hydrogen 3.452 N/A ILE 227.A N ASP 223.A O no hydrogen 2.941 N/A ALA 228.A N PRO 224.A O no hydrogen 2.937 N/A GLU 229.A N ARG 225.A O no hydrogen 3.027 N/A LEU 230.A N ILE 226.A O no hydrogen 2.780 N/A LYS 231.A N ILE 227.A O no hydrogen 2.907 N/A LYS 231.A NZ GLU 263.A OE1 no hydrogen 2.727 N/A ARG 232.A N ALA 228.A O no hydrogen 3.028 N/A ARG 232.A NE GLU 229.A OE1 no hydrogen 2.917 N/A ARG 232.A NH2 GLU 229.A OE2 no hydrogen 2.874 N/A TYR 233.A N GLU 229.A O no hydrogen 2.923 N/A THR 234.A N LEU 230.A O no hydrogen 3.015 N/A THR 234.A OG1 LEU 230.A O no hydrogen 2.828 N/A THR 234.A OG1 LYS 231.A O no hydrogen 3.138 N/A GLU 235.A N LYS 231.A O no hydrogen 3.175 N/A ALA 236.A N ARG 232.A O no hydrogen 2.901 N/A MET 237.A N TYR 233.A O no hydrogen 2.824 N/A GLY 238.A N GLU 235.A O no hydrogen 3.201 N/A ILE 239.A N THR 234.A O no hydrogen 2.859 N/A ARG 241.A NH1 TYR 265.A OH no hydrogen 3.378 N/A ARG 243.A N PRO 240.A O no hydrogen 3.033 N/A ARG 243.A NH2 GLY 214.A O no hydrogen 2.963 N/A GLU 245.A N VAL 217.A O no hydrogen 3.012 N/A PHE 246.A N THR 266.A O no hydrogen 2.982 N/A GLN 247.A N PHE 219.A O no hydrogen 2.932 N/A PHE 248.A N ARG 268.A O no hydrogen 3.012 N/A TYR 250.A N TYR 270.A O no hydrogen 3.027 N/A VAL 252.A N LEU 249.A O no hydrogen 3.091 N/A ARG 253.A NH2 HIS 222.A O no hydrogen 2.907 N/A GLN 257.A N ARG 253.A O no hydrogen 3.131 N/A ARG 258.A N PRO 254.A O no hydrogen 3.135 N/A ARG 259.A N GLU 255.A O no hydrogen 2.837 N/A ARG 259.A NH1 GLU 256.A OE1 no hydrogen 2.563 N/A LEU 260.A N GLU 256.A O no hydrogen 2.869 N/A ALA 261.A N GLN 257.A O no hydrogen 3.061 N/A ARG 262.A N ARG 258.A O no hydrogen 2.928 N/A GLU 263.A N ARG 259.A O no hydrogen 2.967 N/A GLY 264.A N ALA 261.A O no hydrogen 2.943 N/A TYR 265.A N LEU 260.A O no hydrogen 3.035 N/A ARG 268.A N PHE 246.A O no hydrogen 3.013 N/A ARG 268.A NE GLU 245.A OE1 no hydrogen 3.268 N/A ARG 268.A NE GLU 245.A OE2 no hydrogen 2.705 N/A ARG 268.A NH1 GLU 245.A OE1 no hydrogen 2.893 N/A ALA 269.A N HIS 53.A O no hydrogen 2.807 N/A TYR 270.A N PHE 248.A O no hydrogen 2.808 N/A TYR 270.A OH ASP 128.A OD2 no hydrogen 2.728 N/A VAL 271.A N ILE 55.A O no hydrogen 2.751 N/A TYR 273.A N ASP 57.A O no hydrogen 3.010 N/A GLY 274.A N GLY 34.A O no hydrogen 3.034 N/A TRP 277.A NE1 GLU 35.A OE2 no hydrogen 2.918 N/A TYR 278.A OH ALA 11.A O no hydrogen 2.755 N/A LEU 281.A N TRP 277.A O no hydrogen 3.094 N/A THR 282.A N TYR 278.A O no hydrogen 3.358 N/A THR 282.A OG1 PRO 279.A O no hydrogen 2.788 N/A ARG 283.A N PRO 279.A O no hydrogen 3.460 N/A ARG 284.A N TYR 280.A O no hydrogen 3.282 N/A ILE 285.A N LEU 281.A O no hydrogen 3.072 N/A ALA 286.A N THR 282.A O no hydrogen 2.862 N/A GLU 287.A N ARG 283.A O no hydrogen 3.117 N/A