Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rkr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N ALA 1.A O no hydrogen 3.446 N/A GLN 6.A NE2 LYS 2.A O no hydrogen 3.288 N/A ARG 9.A NE GLN 6.A O no hydrogen 3.114 N/A ARG 9.A NE GLY 7.A O no hydrogen 3.035 N/A ARG 9.A NH1 GLY 39.A O no hydrogen 3.172 N/A ARG 9.A NH2 GLN 6.A O no hydrogen 3.053 N/A SER 11.A N ASP 66.A OD2 no hydrogen 3.038 N/A SER 11.A OG GLN 64.A O no hydrogen 2.891 N/A VAL 12.A N HIS 41.A O no hydrogen 2.961 N/A GLY 13.A N ALA 67.A O no hydrogen 2.890 N/A LEU 14.A N VAL 43.A O no hydrogen 2.863 N/A ALA 15.A N ILE 69.A O no hydrogen 3.079 N/A ILE 16.A N ASP 45.A O no hydrogen 3.072 N/A ASN 21.A N ASP 18.A OD1 no hydrogen 2.805 N/A TYR 23.A N ASN 21.A OD1 no hydrogen 3.181 N/A TYR 23.A OH TYR 71.A OH no hydrogen 2.623 N/A PHE 24.A N ASN 21.A O no hydrogen 2.920 N/A ALA 26.A N PRO 22.A O no hydrogen 3.379 N/A PHE 27.A N TYR 23.A O no hydrogen 2.868 N/A ALA 28.A N PHE 24.A O no hydrogen 2.737 N/A SER 29.A N PRO 25.A O no hydrogen 2.852 N/A SER 30.A N ALA 26.A O no hydrogen 3.246 N/A SER 30.A OG LEU 233.A O no hydrogen 2.698 N/A VAL 31.A N PHE 27.A O no hydrogen 3.122 N/A VAL 32.A N ALA 28.A O no hydrogen 2.788 N/A GLU 33.A N SER 29.A O no hydrogen 2.847 N/A LEU 34.A N SER 30.A O no hydrogen 3.126 N/A ALA 35.A N VAL 31.A O no hydrogen 3.020 N/A THR 36.A N VAL 32.A O no hydrogen 2.836 N/A THR 36.A OG1 VAL 32.A O no hydrogen 2.603 N/A LEU 37.A N GLU 33.A O no hydrogen 2.998 N/A ARG 38.A N LEU 34.A O no hydrogen 3.229 N/A ARG 38.A N ALA 35.A O no hydrogen 3.051 N/A GLY 39.A N THR 36.A O no hydrogen 2.844 N/A TRP 40.A N ALA 35.A O no hydrogen 3.036 N/A HIS 41.A N THR 10.A O no hydrogen 3.095 N/A VAL 43.A N VAL 12.A O no hydrogen 3.074 N/A ASP 45.A N LEU 14.A O no hydrogen 2.824 N/A TYR 47.A N ILE 16.A O no hydrogen 2.958 N/A TYR 47.A OH TYR 71.A O no hydrogen 2.595 N/A GLY 48.A N ASP 46.A OD1 no hydrogen 3.052 N/A HIS 49.A N TYR 47.A O no hydrogen 2.779 N/A HIS 49.A NE2 ASP 46.A OD2 no hydrogen 2.806 N/A ARG 52.A N HIS 49.A O no hydrogen 2.941 N/A ARG 52.A NH1 ASP 45.A OD1 no hydrogen 2.968 N/A ARG 52.A NH1 ASP 45.A OD2 no hydrogen 3.491 N/A ARG 52.A NH2 ASP 45.A OD2 no hydrogen 2.939 N/A SER 53.A N ASP 56.A OD2 no hydrogen 2.773 N/A SER 53.A OG ASP 56.A OD2 no hydrogen 3.084 N/A ASP 56.A N SER 53.A OG no hydrogen 3.176 N/A ALA 57.A N SER 53.A O no hydrogen 3.143 N/A VAL 58.A N GLY 54.A O no hydrogen 3.226 N/A GLU 59.A N LEU 55.A O no hydrogen 2.941 N/A HIS 60.A N ASP 56.A O no hydrogen 2.873 N/A HIS 60.A ND1 ASP 45.A OD2 no hydrogen 3.035 N/A LEU 61.A N ALA 57.A O no hydrogen 2.931 N/A ALA 62.A N VAL 58.A O no hydrogen 2.830 N/A GLN 64.A N LEU 61.A O no hydrogen 3.003 N/A GLN 64.A NE2 HIS 60.A NE2 no hydrogen 3.572 N/A GLN 64.A NE2 HIS 60.A O no hydrogen 3.286 N/A VAL 65.A N ALA 62.A O no hydrogen 3.209 N/A ASP 66.A N SER 11.A O no hydrogen 2.674 N/A VAL 68.A N PRO 87.A O no hydrogen 3.000 N/A ILE 69.A N GLY 13.A O no hydrogen 2.846 N/A GLY 70.A N ILE 89.A O no hydrogen 3.012 N/A TYR 71.A N ALA 15.A O no hydrogen 3.117 N/A TYR 71.A OH TYR 23.A OH no hydrogen 2.623 N/A LEU 72.A N GLU 93.A OE2 no hydrogen 3.208 N/A GLY 74.A N GLU 93.A OE2 no hydrogen 3.154 N/A TYR 75.A N LEU 72.A O no hydrogen 3.302 N/A ALA 76.A N GLU 93.A OE1 no hydrogen 3.394 N/A ALA 79.A N TYR 75.A O no hydrogen 2.837 N/A GLN 80.A N ALA 76.A O no hydrogen 3.088 N/A GLN 80.A NE2 GLN 80.A O no hydrogen 3.074 N/A GLN 80.A NE2 GLY 84.A O no hydrogen 2.902 N/A GLN 80.A NE2 ARG 86.A O no hydrogen 2.876 N/A THR 81.A N ASP 77.A O no hydrogen 3.199 N/A THR 81.A OG1 ASP 77.A O no hydrogen 3.078 N/A VAL 82.A N GLN 78.A O no hydrogen 3.130 N/A LEU 83.A N ALA 79.A O no hydrogen 2.911 N/A GLY 84.A N THR 81.A O no hydrogen 3.279 N/A ARG 86.A N LEU 83.A O no hydrogen 2.967 N/A ARG 86.A NE LEU 83.A O no hydrogen 2.986 N/A ARG 86.A NH2 VAL 82.A O no hydrogen 3.413 N/A LEU 88.A N GLN 80.A OE1 no hydrogen 2.962 N/A ILE 89.A N VAL 68.A O no hydrogen 2.849 N/A VAL 90.A N GLY 100.A O no hydrogen 3.184 N/A LEU 91.A N GLY 70.A O no hydrogen 3.096 N/A ASP 92.A N ILE 102.A O no hydrogen 2.885 N/A GLY 96.A N ASN 94.A OD1 no hydrogen 2.860 N/A GLY 97.A N ASP 77.A OD1 no hydrogen 2.774 N/A ALA 98.A N PRO 95.A O no hydrogen 2.775 N/A ALA 99.A N GLN 80.A OE1 no hydrogen 2.903 N/A GLY 100.A N LEU 88.A O no hydrogen 2.937 N/A SER 101.A N SER 259.A O no hydrogen 2.829 N/A ILE 102.A N VAL 90.A O no hydrogen 2.976 N/A ASN 103.A N THR 261.A O no hydrogen 2.864 N/A ASP 105.A N LEU 263.A O no hydrogen 2.963 N/A TYR 106.A OH ASP 92.A OD1 no hydrogen 3.151 N/A TYR 106.A OH ASP 92.A OD2 no hydrogen 3.032 N/A HIS 108.A N ASP 105.A OD1 no hydrogen 3.231 N/A ALA 109.A N ASP 105.A O no hydrogen 3.250 N/A ALA 110.A N TYR 106.A O no hydrogen 2.904 N/A LYS 111.A N GLN 107.A O no hydrogen 2.948 N/A VAL 112.A N HIS 108.A O no hydrogen 3.027 N/A ALA 113.A N ALA 109.A O no hydrogen 2.990 N/A VAL 114.A N ALA 110.A O no hydrogen 3.022 N/A ALA 115.A N LYS 111.A O no hydrogen 2.981 N/A GLN 116.A N VAL 112.A O no hydrogen 3.202 N/A LEU 117.A N ALA 113.A O no hydrogen 3.461 N/A MET 118.A N VAL 114.A O no hydrogen 2.903 N/A ASP 119.A N ALA 115.A O no hydrogen 2.855 N/A SER 120.A N GLN 116.A O no hydrogen 3.238 N/A LYS 121.A N MET 118.A O no hydrogen 2.724 N/A ARG 122.A N LEU 117.A O no hydrogen 3.109 N/A ARG 122.A NH1 ASP 180.A O no hydrogen 3.419 N/A ARG 122.A NH1 PRO 205.A O no hydrogen 3.250 N/A GLN 123.A N ASP 180.A OD2 no hydrogen 2.891 N/A GLN 123.A NE2 LYS 121.A O no hydrogen 2.825 N/A HIS 124.A N ASP 180.A OD1 no hydrogen 2.685 N/A ALA 126.A N GLY 181.A O no hydrogen 2.773 N/A TYR 127.A N SER 154.A O no hydrogen 2.892 N/A TYR 127.A OH GLU 129.A OE1 no hydrogen 2.914 N/A LEU 128.A N LEU 183.A O no hydrogen 2.853 N/A GLU 129.A N ILE 156.A O no hydrogen 2.686 N/A GLY 131.A N ALA 158.A O no hydrogen 2.597 N/A CYS 135.A SG ALA 130.A O no hydrogen 4.017 N/A THR 136.A N GLU 129.A OE2 no hydrogen 3.099 N/A THR 136.A OG1 GLU 129.A OE1 no hydrogen 2.711 N/A THR 136.A OG1 GLU 129.A OE2 no hydrogen 3.221 N/A ARG 138.A NH1 PHE 185.A O no hydrogen 2.883 N/A GLY 139.A N THR 136.A OG1 no hydrogen 2.924 N/A LYS 140.A N THR 136.A O no hydrogen 2.822 N/A LYS 140.A NZ CYS 135.A O no hydrogen 3.193 N/A ALA 141.A N VAL 137.A O no hydrogen 2.991 N/A VAL 142.A N ARG 138.A O no hydrogen 2.968 N/A ALA 143.A N GLY 139.A O no hydrogen 3.241 N/A GLY 144.A N LYS 140.A O no hydrogen 2.893 N/A ARG 145.A N ALA 141.A O no hydrogen 3.195 N/A LEU 146.A N VAL 142.A O no hydrogen 2.951 N/A ASP 147.A N ALA 143.A O no hydrogen 2.757 N/A GLU 148.A N GLY 144.A O no hydrogen 2.908 N/A LEU 149.A N ARG 145.A O no hydrogen 3.173 N/A GLY 150.A N ASP 147.A O no hydrogen 2.915 N/A ALA 151.A N LEU 146.A O no hydrogen 3.249 N/A TRP 153.A NE1 ASP 147.A OD1 no hydrogen 2.857 N/A SER 154.A N ILE 125.A O no hydrogen 2.883 N/A ILE 156.A N TYR 127.A O no hydrogen 2.719 N/A ALA 158.A N GLU 129.A O no hydrogen 3.003 N/A THR 161.A N GLU 159.A O no hydrogen 2.701 N/A ALA 164.A N THR 161.A OG1 no hydrogen 3.012 N/A ALA 165.A N THR 161.A O no hydrogen 3.021 N/A ARG 166.A N ALA 162.A O no hydrogen 2.782 N/A ARG 166.A NE GLU 163.A OE1 no hydrogen 2.879 N/A ARG 166.A NH2 GLU 163.A OE2 no hydrogen 2.814 N/A GLU 167.A N GLU 163.A O no hydrogen 2.867 N/A ALA 168.A N ALA 164.A O no hydrogen 2.995 N/A ALA 169.A N ALA 165.A O no hydrogen 2.886 N/A ALA 170.A N ARG 166.A O no hydrogen 3.020 N/A ALA 171.A N GLU 167.A O no hydrogen 3.416 N/A PHE 172.A N ALA 168.A O no hydrogen 3.181 N/A LEU 173.A N ALA 169.A O no hydrogen 2.782 N/A ARG 174.A N ALA 170.A O no hydrogen 3.243 N/A GLU 175.A N ALA 171.A O no hydrogen 3.483 N/A HIS 176.A N PHE 172.A O no hydrogen 2.700 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.640 N/A THR 179.A N HIS 176.A O no hydrogen 3.198 N/A THR 179.A OG1 HIS 176.A O no hydrogen 2.864 N/A ASP 180.A N HIS 124.A O no hydrogen 3.002 N/A ILE 182.A N ALA 209.A O no hydrogen 2.877 N/A LEU 183.A N ALA 126.A O no hydrogen 2.996 N/A ALA 184.A N ILE 211.A O no hydrogen 2.870 N/A PHE 185.A N LEU 128.A O no hydrogen 2.833 N/A ASP 187.A N MET 213.A O no hydrogen 2.727 N/A MET 189.A N ASN 186.A OD1 no hydrogen 3.038 N/A ALA 190.A N ASN 186.A O no hydrogen 2.936 N/A ALA 191.A N ASP 187.A O no hydrogen 3.012 N/A ALA 191.A N LEU 188.A O no hydrogen 3.182 N/A VAL 193.A N MET 189.A O no hydrogen 3.150 N/A LEU 194.A N ALA 190.A O no hydrogen 2.892 N/A LYS 195.A N ALA 191.A O no hydrogen 3.359 N/A ALA 196.A N GLY 192.A O no hydrogen 3.051 N/A LEU 197.A N VAL 193.A O no hydrogen 2.929 N/A SER 198.A N LEU 194.A O no hydrogen 2.926 N/A GLY 199.A N LYS 195.A O no hydrogen 2.817 N/A SER 200.A N LEU 197.A O no hydrogen 3.071 N/A SER 200.A OG ALA 196.A O no hydrogen 2.648 N/A GLY 201.A N SER 198.A O no hydrogen 2.887 N/A ARG 202.A N LEU 197.A O no hydrogen 2.917 N/A ARG 203.A N ASP 207.A OD2 no hydrogen 3.033 N/A ARG 203.A NE ASP 207.A OD2 no hydrogen 3.024 N/A ARG 203.A NH2 ASP 207.A OD1 no hydrogen 2.623 N/A ASP 207.A N ARG 203.A O no hydrogen 3.015 N/A CYS 208.A N ARG 203.A O no hydrogen 3.003 N/A CYS 208.A SG THR 179.A O no hydrogen 3.689 N/A CYS 208.A SG ALA 209.A O no hydrogen 3.658 N/A ALA 209.A N ASP 180.A O no hydrogen 2.995 N/A VAL 210.A N SER 272.A O no hydrogen 2.964 N/A ILE 211.A N ILE 182.A O no hydrogen 2.963 N/A GLY 212.A N SER 227.A O no hydrogen 2.980 N/A ASP 214.A N MET 229.A O no hydrogen 2.878 N/A ILE 216.A N ASP 187.A OD2 no hydrogen 3.193 N/A GLY 219.A N ILE 216.A O no hydrogen 2.965 N/A GLU 220.A N PRO 217.A O no hydrogen 3.011 N/A LEU 221.A N LEU 218.A O no hydrogen 2.770 N/A LEU 222.A N LEU 218.A O no hydrogen 3.099 N/A GLN 225.A N GLU 271.A OE1 no hydrogen 3.009 N/A LEU 226.A N GLY 219.A O no hydrogen 3.053 N/A SER 227.A N SER 272.A OG no hydrogen 2.712 N/A SER 227.A OG THR 273.A OG1 no hydrogen 2.790 N/A THR 228.A N VAL 268.A O no hydrogen 3.158 N/A THR 228.A OG1 ASP 187.A OD1 no hydrogen 2.606 N/A THR 228.A OG1 ASP 187.A OD2 no hydrogen 3.270 N/A MET 229.A N GLY 212.A O no hydrogen 2.983 N/A ALA 230.A N ARG 266.A O no hydrogen 2.722 N/A LEU 231.A N ASP 214.A O no hydrogen 3.308 N/A VAL 236.A N ASP 232.A O no hydrogen 2.933 N/A GLY 237.A N LEU 233.A O no hydrogen 2.906 N/A ARG 238.A N ARG 234.A O no hydrogen 2.743 N/A ALA 239.A N GLU 235.A O no hydrogen 2.882 N/A ALA 240.A N VAL 236.A O no hydrogen 3.197 N/A VAL 241.A N GLY 237.A O no hydrogen 2.884 N/A GLU 242.A N ARG 238.A O no hydrogen 2.855 N/A LEU 243.A N ALA 239.A O no hydrogen 2.994 N/A LEU 244.A N ALA 240.A O no hydrogen 3.065 N/A VAL 245.A N VAL 241.A O no hydrogen 2.860 N/A GLY 246.A N GLU 242.A O no hydrogen 3.049 N/A LEU 247.A N LEU 243.A O no hydrogen 2.955 N/A LEU 248.A N LEU 244.A O no hydrogen 2.839 N/A SER 249.A N VAL 245.A O no hydrogen 2.837 N/A SER 249.A OG VAL 245.A O no hydrogen 2.945 N/A SER 249.A OG GLY 246.A O no hydrogen 3.087 N/A GLY 250.A N GLY 246.A O no hydrogen 3.101 N/A ALA 251.A N SER 249.A OG no hydrogen 3.207 N/A VAL 252.A N GLY 246.A O no hydrogen 2.750 N/A GLY 255.A N ALA 99.A O no hydrogen 3.159 N/A SER 256.A N THR 253.A O no hydrogen 3.306 N/A SER 256.A OG THR 253.A O no hydrogen 2.693 N/A SER 259.A N SER 256.A O no hydrogen 2.882 N/A SER 259.A OG ALA 99.A O no hydrogen 3.241 N/A SER 259.A OG SER 256.A O no hydrogen 2.486 N/A ARG 260.A N GLN 257.A O no hydrogen 3.069 N/A ARG 260.A NH1 ALA 98.A O no hydrogen 2.880 N/A ARG 260.A NH2 ALA 98.A O no hydrogen 2.907 N/A THR 261.A N SER 101.A O no hydrogen 2.857 N/A THR 262.A OG1 ASN 103.A OD1 no hydrogen 2.950 N/A LEU 263.A N ASN 103.A O no hydrogen 2.744 N/A ARG 266.A N ALA 230.A O no hydrogen 2.725 N/A VAL 268.A N THR 228.A O no hydrogen 2.990 N/A ARG 270.A N SER 227.A OG no hydrogen 2.673 N/A ARG 270.A NH1 LEU 226.A O no hydrogen 2.656 N/A SER 272.A OG VAL 210.A O no hydrogen 2.475 N/A THR 273.A OG1 SER 227.A OG no hydrogen 2.790 N/A