Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1cpx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG THR 4.A OG1 no hydrogen 3.311 N/A THR 2.A N GLU 26.A OE2 no hydrogen 2.922 N/A THR 2.A OG1 GLU 26.A OE1 no hydrogen 2.668 N/A THR 4.A N SER 1.A O no hydrogen 3.211 N/A THR 4.A OG1 SER 1.A O no hydrogen 3.266 N/A THR 4.A OG1 SER 1.A OG no hydrogen 3.311 N/A TYR 7.A OH THR 2.A O no hydrogen 2.792 N/A ALA 8.A N ASN 6.A OD1 no hydrogen 3.007 N/A TYR 10.A OH LEU 279.A O no hydrogen 2.657 N/A HIS 11.A ND1 GLU 15.A OE1 no hydrogen 2.854 N/A HIS 11.A NE2 ASN 6.A O no hydrogen 2.684 N/A THR 12.A N GLU 15.A OE1 no hydrogen 3.074 N/A GLU 15.A N THR 12.A OG1 no hydrogen 3.351 N/A ILE 16.A N THR 12.A O no hydrogen 3.150 N/A TYR 17.A N LEU 13.A O no hydrogen 2.983 N/A TYR 17.A OH PRO 44.A O no hydrogen 2.817 N/A ASP 18.A N ASP 14.A O no hydrogen 2.883 N/A PHE 19.A N GLU 15.A O no hydrogen 2.894 N/A MET 20.A N ILE 16.A O no hydrogen 3.105 N/A ASP 21.A N TYR 17.A O no hydrogen 3.354 N/A LEU 22.A N ASP 18.A O no hydrogen 3.091 N/A LEU 23.A N PHE 19.A O no hydrogen 2.955 N/A VAL 24.A N MET 20.A O no hydrogen 3.159 N/A ALA 25.A N ASP 21.A O no hydrogen 3.091 N/A GLU 26.A N LEU 22.A O no hydrogen 2.994 N/A HIS 27.A N LEU 23.A O no hydrogen 2.945 N/A GLN 29.A N GLN 29.A OE1 no hydrogen 2.773 N/A GLN 29.A NE2 HIS 27.A ND1 no hydrogen 3.398 N/A LEU 30.A N HIS 27.A O no hydrogen 2.964 N/A VAL 31.A N HIS 27.A O no hydrogen 2.970 N/A SER 32.A N LYS 49.A O no hydrogen 3.041 N/A LYS 33.A NZ ASP 21.A OD1 no hydrogen 2.657 N/A LEU 34.A N VAL 47.A O no hydrogen 2.851 N/A ILE 36.A N ILE 45.A O no hydrogen 2.958 N/A ARG 38.A NH1 GLY 42.A O no hydrogen 2.733 N/A SER 39.A N ARG 43.A O no hydrogen 2.713 N/A SER 39.A OG ARG 43.A O no hydrogen 3.455 N/A SER 39.A OG ASP 112.A OD1 no hydrogen 2.675 N/A SER 39.A OG ASP 112.A OD2 no hydrogen 3.122 N/A TYR 40.A N GLU 173.A OE2 no hydrogen 3.135 N/A GLU 41.A N ASP 112.A OD2 no hydrogen 2.984 N/A GLY 42.A N SER 39.A O no hydrogen 2.936 N/A ARG 43.A N SER 39.A OG no hydrogen 2.832 N/A ARG 43.A NH1 GLU 41.A OE1 no hydrogen 2.719 N/A ARG 43.A NH1 ASP 112.A OD1 no hydrogen 2.682 N/A ILE 45.A N GLY 37.A O no hydrogen 2.884 N/A VAL 47.A N LEU 34.A O no hydrogen 2.832 N/A LEU 48.A N LEU 105.A O no hydrogen 2.887 N/A LYS 49.A N SER 32.A O no hydrogen 2.861 N/A PHE 50.A N ILE 103.A O no hydrogen 2.828 N/A SER 51.A N LEU 30.A O no hydrogen 2.952 N/A SER 51.A OG ASP 102.A OD1 no hydrogen 2.713 N/A THR 52.A OG1 LEU 98.A O no hydrogen 2.636 N/A GLY 53.A N SER 51.A OG no hydrogen 3.378 N/A ARG 57.A NH1 THR 52.A OG1 no hydrogen 2.916 N/A ALA 59.A N ASN 186.A O no hydrogen 2.779 N/A ILE 60.A N ASP 102.A O no hydrogen 2.978 N/A TRP 61.A N ALA 189.A O no hydrogen 3.057 N/A TRP 61.A NE1 ASP 63.A OD2 no hydrogen 2.960 N/A ILE 62.A N PHE 104.A O no hydrogen 2.876 N/A ASP 63.A N LEU 191.A O no hydrogen 2.892 N/A LEU 64.A N GLU 106.A O no hydrogen 2.842 N/A HIS 67.A NE2 ASP 140.A OD1 no hydrogen 2.706 N/A SER 68.A OG TRP 124.A O no hydrogen 2.803 N/A ARG 69.A NH1 LEU 123.A O no hydrogen 3.406 N/A GLU 70.A N HIS 67.A O no hydrogen 3.226 N/A TRP 71.A N ARG 69.A O no hydrogen 2.804 N/A TRP 71.A NE1 THR 117.A OG1 no hydrogen 2.913 N/A THR 73.A N GLU 70.A O no hydrogen 2.855 N/A THR 73.A OG1 GLU 70.A O no hydrogen 2.766 N/A THR 73.A OG1 GLN 74.A OE1 no hydrogen 3.239 N/A GLN 74.A N GLN 74.A OE1 no hydrogen 2.800 N/A GLN 74.A NE2 SER 68.A O no hydrogen 3.336 N/A ALA 75.A N TRP 71.A O no hydrogen 3.263 N/A THR 76.A N ILE 72.A O no hydrogen 2.990 N/A THR 76.A OG1 ILE 72.A O no hydrogen 2.902 N/A GLY 77.A N THR 73.A O no hydrogen 2.960 N/A VAL 78.A N GLN 74.A O no hydrogen 3.052 N/A TRP 79.A N ALA 75.A O no hydrogen 3.283 N/A PHE 80.A N THR 76.A O no hydrogen 2.868 N/A ALA 81.A N GLY 77.A O no hydrogen 3.044 N/A LYS 82.A N VAL 78.A O no hydrogen 3.149 N/A LYS 82.A NZ THR 2.A OG1 no hydrogen 2.662 N/A LYS 82.A NZ ASN 3.A OD1 no hydrogen 2.999 N/A LYS 83.A N TRP 79.A O no hydrogen 2.799 N/A LYS 83.A NZ ASP 87.A OD1 no hydrogen 3.322 N/A LYS 83.A NZ ASP 87.A OD2 no hydrogen 3.558 N/A PHE 84.A N PHE 80.A O no hydrogen 2.954 N/A THR 85.A OG1 LYS 82.A O no hydrogen 2.704 N/A GLU 86.A N LYS 82.A O no hydrogen 3.271 N/A GLU 86.A N LYS 83.A O no hydrogen 3.040 N/A ASP 87.A N LYS 83.A O no hydrogen 2.911 N/A TYR 88.A N PHE 84.A O no hydrogen 3.289 N/A TYR 88.A OH ASP 99.A OD1 no hydrogen 2.586 N/A GLY 89.A N THR 95.A OG1 no hydrogen 2.710 N/A GLN 90.A N ASP 87.A O no hydrogen 2.936 N/A ASP 91.A N ASP 87.A O no hydrogen 2.914 N/A SER 93.A N ASP 91.A OD1 no hydrogen 2.866 N/A SER 93.A OG GLU 300.A OE2 no hydrogen 2.787 N/A PHE 94.A N ASP 91.A OD1 no hydrogen 3.264 N/A THR 95.A N ASP 91.A O no hydrogen 2.950 N/A THR 95.A OG1 ASP 91.A O no hydrogen 2.912 N/A ALA 96.A N PRO 92.A O no hydrogen 3.233 N/A ILE 97.A N SER 93.A O no hydrogen 3.234 N/A LEU 98.A N PHE 94.A O no hydrogen 3.103 N/A ASP 99.A N THR 95.A O no hydrogen 3.018 N/A SER 100.A N ILE 97.A O no hydrogen 3.171 N/A SER 100.A OG ALA 96.A O no hydrogen 3.379 N/A MET 101.A N ILE 97.A O no hydrogen 2.780 N/A ASP 102.A N PRO 58.A O no hydrogen 3.050 N/A ILE 103.A N PHE 50.A O no hydrogen 2.970 N/A PHE 104.A N ILE 60.A O no hydrogen 2.756 N/A LEU 105.A N LEU 48.A O no hydrogen 2.840 N/A GLU 106.A N ILE 62.A O no hydrogen 2.869 N/A THR 109.A N LEU 64.A O no hydrogen 3.183 N/A THR 109.A OG1 LEU 64.A O no hydrogen 2.823 N/A ASN 110.A ND2 ILE 66.A O no hydrogen 3.241 N/A ASN 110.A ND2 LYS 126.A O no hydrogen 2.973 N/A GLY 113.A N ASN 110.A OD1 no hydrogen 2.892 N/A PHE 114.A N ASN 110.A O no hydrogen 3.049 N/A ALA 115.A N PRO 111.A O no hydrogen 2.921 N/A PHE 116.A N ASP 112.A O no hydrogen 3.089 N/A THR 117.A N GLY 113.A O no hydrogen 2.929 N/A THR 117.A OG1 PHE 114.A O no hydrogen 2.729 N/A HIS 118.A N ALA 115.A O no hydrogen 3.145 N/A HIS 118.A ND1 PHE 114.A O no hydrogen 3.043 N/A SER 119.A N ALA 115.A O no hydrogen 2.963 N/A SER 119.A OG ALA 115.A O no hydrogen 3.292 N/A GLN 120.A N PHE 116.A O no hydrogen 2.853 N/A ASN 121.A N PHE 116.A O no hydrogen 2.969 N/A ARG 122.A NH1 ARG 69.A O no hydrogen 2.733 N/A ARG 122.A NH1 ARG 122.A O no hydrogen 2.870 N/A ARG 122.A NH2 PHE 277.A O no hydrogen 2.858 N/A LEU 123.A N ASN 121.A OD1 no hydrogen 2.927 N/A TRP 124.A N ASN 121.A O no hydrogen 3.010 N/A TRP 124.A NE1 THR 127.A O no hydrogen 3.208 N/A ARG 125.A NE ASP 140.A OD2 no hydrogen 3.118 N/A ARG 125.A NE GLU 161.A O no hydrogen 3.073 N/A ARG 125.A NH2 ASP 140.A OD2 no hydrogen 2.678 N/A LYS 126.A NZ VAL 137.A O no hydrogen 3.334 N/A LYS 126.A NZ GLY 138.A O no hydrogen 3.147 N/A LYS 126.A NZ SER 160.A O no hydrogen 2.859 N/A THR 127.A N VAL 139.A O no hydrogen 2.930 N/A THR 127.A OG1 SER 129.A OG no hydrogen 3.353 N/A THR 127.A OG1 VAL 139.A O no hydrogen 3.343 N/A THR 127.A OG1 GLU 171.A OE1 no hydrogen 2.839 N/A SER 129.A OG THR 127.A OG1 no hydrogen 3.353 N/A SER 129.A OG GLU 171.A OE1 no hydrogen 2.603 N/A SER 134.A N THR 131.A O no hydrogen 3.070 N/A CYS 136.A N SER 134.A OG no hydrogen 3.039 N/A GLY 138.A N SER 129.A O no hydrogen 2.768 N/A VAL 139.A N THR 127.A OG1 no hydrogen 3.218 N/A ASP 140.A N TYR 163.A O no hydrogen 2.852 N/A ASN 142.A N ASP 140.A OD1 no hydrogen 2.964 N/A ARG 143.A N ASP 140.A O no hydrogen 2.975 N/A ARG 143.A NE GLY 153.A O no hydrogen 2.888 N/A ASN 144.A ND2 HIS 164.A O no hydrogen 2.968 N/A ASN 144.A ND2 TYR 167.A O no hydrogen 3.316 N/A ASN 144.A ND2 SER 170.A OG no hydrogen 3.008 N/A TRP 145.A N GLY 250.A O no hydrogen 2.920 N/A ALA 147.A N TRP 145.A O no hydrogen 2.741 N/A LYS 151.A N GLY 148.A O no hydrogen 3.148 N/A SER 155.A N THR 162.A O no hydrogen 2.998 N/A SER 157.A N SER 155.A OG no hydrogen 2.954 N/A SER 160.A N SER 157.A O no hydrogen 3.052 N/A SER 160.A OG THR 162.A OG1 no hydrogen 3.424 N/A THR 162.A N SER 160.A OG no hydrogen 3.269 N/A THR 162.A OG1 SER 160.A OG no hydrogen 3.424 N/A HIS 164.A N SER 155.A O no hydrogen 3.032 N/A HIS 164.A ND1 GLY 165.A O no hydrogen 2.621 N/A ASN 169.A N ASN 144.A O no hydrogen 2.797 N/A SER 170.A N TYR 167.A O no hydrogen 3.012 N/A SER 170.A OG TYR 167.A O no hydrogen 3.259 N/A SER 170.A OG GLU 171.A OE2 no hydrogen 2.945 N/A GLU 171.A N ASN 144.A OD1 no hydrogen 3.029 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.725 N/A VAL 174.A N GLU 171.A O no hydrogen 2.826 N/A LYS 175.A N GLU 171.A O no hydrogen 2.935 N/A SER 176.A N VAL 172.A O no hydrogen 3.005 N/A SER 176.A OG VAL 172.A O no hydrogen 2.730 N/A ILE 177.A N VAL 174.A O no hydrogen 3.027 N/A VAL 178.A N VAL 174.A O no hydrogen 3.142 N/A ASP 179.A N LYS 175.A O no hydrogen 2.934 N/A PHE 180.A N SER 176.A O no hydrogen 3.282 N/A VAL 181.A N ILE 177.A O no hydrogen 2.825 N/A LYS 182.A N VAL 178.A O no hydrogen 2.911 N/A ASP 183.A N ASP 179.A O no hydrogen 2.838 N/A HIS 184.A N PHE 180.A O no hydrogen 2.946 N/A GLY 185.A N VAL 181.A O no hydrogen 2.999 N/A ASN 186.A N HIS 184.A ND1 no hydrogen 3.168 N/A ASN 186.A ND2 ASN 56.A O no hydrogen 2.969 N/A LYS 188.A N ALA 59.A O no hydrogen 2.766 N/A PHE 190.A N TYR 263.A O no hydrogen 2.809 N/A LEU 191.A N TRP 61.A O no hydrogen 2.899 N/A SER 192.A N PHE 265.A O no hydrogen 3.021 N/A SER 192.A OG ASP 63.A OD1 no hydrogen 2.622 N/A ILE 193.A N ASP 63.A O no hydrogen 2.793 N/A HIS 194.A N PHE 267.A O no hydrogen 2.811 N/A SER 195.A N GLU 70.A OE1 no hydrogen 3.120 N/A SER 197.A N LEU 269.A O no hydrogen 2.980 N/A SER 197.A OG TYR 196.A O no hydrogen 2.653 N/A GLN 198.A N LEU 269.A O no hydrogen 3.219 N/A GLN 198.A NE2 SER 235.A O no hydrogen 2.992 N/A LEU 199.A N GLU 268.A O no hydrogen 2.972 N/A LEU 200.A N LYS 237.A O no hydrogen 2.949 N/A LEU 201.A N THR 266.A O no hydrogen 2.778 N/A TYR 202.A N GLY 239.A O no hydrogen 3.037 N/A TYR 202.A OH ASN 218.A OD1 no hydrogen 2.963 N/A TYR 204.A OH ASN 258.A OD1 no hydrogen 2.567 N/A GLY 205.A N ASP 254.A OD1 no hydrogen 3.163 N/A GLY 205.A N ASP 254.A OD2 no hydrogen 2.837 N/A TYR 206.A N ASP 254.A OD2 no hydrogen 3.127 N/A GLN 209.A N THR 207.A OG1 no hydrogen 3.158 N/A LYS 214.A N ILE 211.A O no hydrogen 3.027 N/A LEU 217.A N ASP 213.A O no hydrogen 3.019 N/A ASN 218.A N LYS 214.A O no hydrogen 2.985 N/A GLN 219.A N THR 215.A O no hydrogen 3.240 N/A VAL 220.A N GLU 216.A O no hydrogen 3.026 N/A ALA 221.A N LEU 217.A O no hydrogen 2.911 N/A LYS 222.A N ASN 218.A O no hydrogen 3.051 N/A SER 223.A N GLN 219.A O no hydrogen 3.074 N/A SER 223.A OG GLN 219.A O no hydrogen 3.094 N/A ALA 224.A N VAL 220.A O no hydrogen 2.912 N/A VAL 225.A N ALA 221.A O no hydrogen 3.002 N/A ALA 226.A N LYS 222.A O no hydrogen 3.096 N/A ALA 227.A N SER 223.A O no hydrogen 3.131 N/A LEU 228.A N ALA 224.A O no hydrogen 3.146 N/A LYS 229.A N VAL 225.A O no hydrogen 3.033 N/A SER 230.A N ALA 226.A O no hydrogen 3.049 N/A SER 230.A OG ALA 227.A O no hydrogen 2.734 N/A TYR 232.A OH GLN 289.A OE1 no hydrogen 2.465 N/A GLY 233.A N LYS 229.A O no hydrogen 2.696 N/A THR 234.A OG1 GLU 290.A OE1 no hydrogen 2.654 N/A THR 234.A OG1 GLU 290.A OE2 no hydrogen 3.439 N/A LYS 237.A N GLN 198.A O no hydrogen 3.106 N/A GLY 239.A N LEU 200.A O no hydrogen 3.316 N/A SER 240.A OG THR 243.A OG1 no hydrogen 2.771 N/A ILE 241.A N TYR 202.A O no hydrogen 2.881 N/A ILE 242.A N TYR 204.A O no hydrogen 3.042 N/A THR 243.A OG1 SER 240.A O no hydrogen 3.377 N/A THR 243.A OG1 SER 240.A OG no hydrogen 2.771 N/A THR 244.A N SER 240.A O no hydrogen 2.973 N/A THR 244.A N ILE 241.A O no hydrogen 3.235 N/A THR 244.A OG1 SER 240.A O no hydrogen 2.860 N/A ILE 245.A N ILE 241.A O no hydrogen 2.939 N/A GLN 247.A NE2 TYR 206.A O no hydrogen 3.036 N/A ALA 248.A N GLY 205.A O no hydrogen 2.942 N/A SER 249.A N GLY 153.A O no hydrogen 3.328 N/A SER 249.A OG LYS 151.A O no hydrogen 2.736 N/A SER 249.A OG ALA 152.A O no hydrogen 3.559 N/A GLY 250.A N ALA 147.A O no hydrogen 2.818 N/A SER 252.A N ASN 142.A OD1 no hydrogen 3.067 N/A TRP 255.A N GLY 251.A O no hydrogen 3.388 N/A SER 256.A N SER 252.A O no hydrogen 2.825 N/A SER 256.A OG SER 252.A O no hydrogen 3.561 N/A SER 256.A OG ILE 253.A O no hydrogen 3.121 N/A SER 256.A OG SER 264.A OG no hydrogen 2.768 N/A TYR 257.A N ILE 253.A O no hydrogen 2.994 N/A TYR 257.A OH ASP 213.A OD2 no hydrogen 2.785 N/A ASN 258.A N ASP 254.A O no hydrogen 3.129 N/A ASN 258.A ND2 TYR 206.A OH no hydrogen 3.299 N/A GLN 259.A N SER 256.A O no hydrogen 3.046 N/A GLN 259.A NE2 TRP 255.A O no hydrogen 3.573 N/A GLY 260.A N TYR 257.A O no hydrogen 3.041 N/A ILE 261.A N SER 256.A O no hydrogen 3.223 N/A LYS 262.A NZ GLU 216.A OE1 no hydrogen 3.064 N/A TYR 263.A N LYS 188.A O no hydrogen 3.360 N/A TYR 263.A OH GLU 216.A OE2 no hydrogen 2.595 N/A SER 264.A N LYS 262.A O no hydrogen 2.909 N/A SER 264.A OG SER 256.A OG no hydrogen 2.768 N/A SER 264.A OG ILE 261.A O no hydrogen 2.654 N/A PHE 265.A N PHE 190.A O no hydrogen 2.909 N/A THR 266.A N LEU 201.A O no hydrogen 2.842 N/A PHE 267.A N SER 192.A O no hydrogen 3.082 N/A GLU 268.A N LEU 199.A O no hydrogen 2.769 N/A LEU 269.A N HIS 194.A O no hydrogen 2.818 N/A ARG 270.A NE GLU 290.A OE2 no hydrogen 2.913 N/A ARG 270.A NH1 GLN 283.A OE1 no hydrogen 3.121 N/A ARG 270.A NH2 THR 234.A OG1 no hydrogen 3.302 N/A ARG 270.A NH2 GLU 290.A OE1 no hydrogen 2.996 N/A ARG 270.A NH2 GLU 290.A OE2 no hydrogen 3.553 N/A GLY 273.A N ASP 271.A OD1 no hydrogen 2.881 N/A TYR 275.A N ASP 271.A OD2 no hydrogen 2.907 N/A GLY 276.A N ASP 271.A OD1 no hydrogen 3.020 N/A LEU 278.A N TYR 275.A O no hydrogen 3.073 N/A GLN 283.A N PRO 280.A O no hydrogen 3.071 N/A ILE 284.A N ALA 281.A O no hydrogen 3.122 N/A THR 287.A N GLN 283.A O no hydrogen 3.062 N/A THR 287.A OG1 GLN 283.A O no hydrogen 2.655 N/A ALA 288.A N ILE 284.A O no hydrogen 2.892 N/A GLN 289.A N ILE 285.A O no hydrogen 2.758 N/A GLU 290.A N PRO 286.A O no hydrogen 3.032 N/A THR 291.A N THR 287.A O no hydrogen 3.006 N/A THR 291.A OG1 THR 287.A O no hydrogen 2.628 N/A TRP 292.A N ALA 288.A O no hydrogen 3.093 N/A GLY 294.A N GLU 290.A O no hydrogen 3.304 N/A VAL 295.A N THR 291.A O no hydrogen 2.872 N/A LEU 296.A N TRP 292.A O no hydrogen 2.826 N/A THR 297.A N LEU 293.A O no hydrogen 3.252 N/A THR 297.A OG1 LEU 293.A O no hydrogen 2.858 N/A ILE 298.A N GLY 294.A O no hydrogen 3.430 N/A MET 299.A N VAL 295.A O no hydrogen 3.136 N/A GLU 300.A N LEU 296.A O no hydrogen 2.947 N/A HIS 301.A N THR 297.A O no hydrogen 3.276 N/A THR 302.A N ILE 298.A O no hydrogen 3.156 N/A THR 302.A N MET 299.A O no hydrogen 2.784 N/A THR 302.A OG1 MET 299.A O no hydrogen 2.897 N/A VAL 303.A N MET 299.A O no hydrogen 3.095 N/A