Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cxo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 1.A N HIS 6.A NE2 no hydrogen 3.474 N/A TRP 1.A N ASP 117.A OD1 no hydrogen 2.902 N/A TRP 1.A N ASP 151.A OD1 no hydrogen 3.200 N/A TRP 1.A NE1 GLY 116.A O no hydrogen 2.804 N/A GLY 2.A N ASP 151.A O no hydrogen 2.871 N/A HIS 6.A N GLY 2.A O no hydrogen 3.269 N/A GLU 7.A N LYS 3.A O no hydrogen 3.010 N/A ILE 8.A N GLU 4.A O no hydrogen 2.972 N/A ILE 9.A N GLY 5.A O no hydrogen 3.006 N/A CYS 10.A N HIS 6.A O no hydrogen 2.888 N/A LYS 11.A N GLU 7.A O no hydrogen 2.920 N/A LYS 11.A NZ GLU 168.A OE2 no hydrogen 2.727 N/A ILE 12.A N ILE 8.A O no hydrogen 2.990 N/A ALA 13.A N ILE 9.A O no hydrogen 2.984 N/A GLN 14.A N CYS 10.A O no hydrogen 2.839 N/A THR 15.A OG1 ILE 12.A O no hydrogen 3.122 N/A ARG 16.A N ALA 13.A O no hydrogen 2.913 N/A ARG 16.A NH2 GLU 190.A OE2 no hydrogen 2.693 N/A LEU 17.A N GLN 14.A O no hydrogen 3.430 N/A ASP 18.A N ASN 251.A OD1 no hydrogen 2.896 N/A THR 20.A OG1 ASP 18.A OD1 no hydrogen 3.040 N/A ALA 21.A N ASP 18.A OD1 no hydrogen 3.024 N/A ALA 22.A N ASP 18.A O no hydrogen 2.845 N/A LYS 23.A N GLU 19.A O no hydrogen 2.918 N/A LYS 23.A NZ GLU 27.A OE2 no hydrogen 2.686 N/A ALA 24.A N THR 20.A O no hydrogen 3.058 N/A VAL 25.A N ALA 21.A O no hydrogen 2.868 N/A LYS 26.A N ALA 22.A O no hydrogen 2.987 N/A GLU 27.A N LYS 23.A O no hydrogen 3.005 N/A LEU 28.A N ALA 24.A O no hydrogen 2.880 N/A LEU 29.A N VAL 25.A O no hydrogen 2.921 N/A ALA 33.A N PRO 30.A O no hydrogen 3.267 N/A GLU 34.A N GLU 31.A O no hydrogen 2.873 N/A ASP 36.A N ALA 33.A O no hydrogen 3.148 N/A LEU 37.A N GLN 14.A OE1 no hydrogen 2.922 N/A SER 38.A N ASP 36.A OD1 no hydrogen 2.980 N/A SER 38.A OG ASP 36.A OD1 no hydrogen 2.600 N/A SER 38.A OG ASP 36.A OD2 no hydrogen 3.133 N/A SER 39.A N ASP 36.A O no hydrogen 3.040 N/A SER 39.A OG ALA 33.A O no hydrogen 3.521 N/A SER 39.A OG ASP 36.A O no hydrogen 2.651 N/A LEU 40.A N LEU 37.A O no hydrogen 3.033 N/A CYS 41.A N SER 38.A O no hydrogen 3.519 N/A CYS 41.A SG LEU 37.A O no hydrogen 3.241 N/A TRP 43.A N LEU 40.A O no hydrogen 3.038 N/A ASP 45.A N LEU 42.A O no hydrogen 2.919 N/A ARG 46.A N TRP 43.A O no hydrogen 2.799 N/A VAL 47.A N ALA 44.A O no hydrogen 3.304 N/A ARG 50.A NH2 ARG 46.A O no hydrogen 2.770 N/A TYR 51.A N VAL 47.A O no hydrogen 2.740 N/A TYR 51.A OH GLU 106.A OE2 no hydrogen 2.680 N/A SER 54.A N TYR 51.A O no hydrogen 2.784 N/A SER 54.A OG VAL 47.A O no hydrogen 3.499 N/A SER 54.A OG TYR 51.A O no hydrogen 2.616 N/A SER 55.A N HIS 52.A O no hydrogen 3.344 N/A LEU 57.A N SER 54.A O no hydrogen 3.028 N/A HIS 58.A N SER 55.A O no hydrogen 3.385 N/A HIS 58.A ND1 ASP 117.A OD2 no hydrogen 3.129 N/A TYR 59.A N PRO 56.A O no hydrogen 3.486 N/A ILE 60.A N HIS 123.A O no hydrogen 2.742 N/A ASN 61.A ND2 SER 125.A O no hydrogen 3.596 N/A THR 62.A N SER 125.A O no hydrogen 2.926 N/A THR 62.A OG1 PRO 63.A O no hydrogen 3.024 N/A ALA 65.A N PRO 63.A O no hydrogen 2.666 N/A TYR 68.A OH ASP 199.A OD1 no hydrogen 2.695 N/A GLN 69.A N ASP 73.A OD2 no hydrogen 2.987 N/A ARG 72.A NE ASP 73.A OD1 no hydrogen 2.842 N/A ARG 72.A NE ASP 73.A OD2 no hydrogen 3.337 N/A ARG 72.A NH1 SER 67.A OG no hydrogen 3.416 N/A ARG 72.A NH2 SER 67.A OG no hydrogen 3.138 N/A ARG 72.A NH2 ASP 73.A OD2 no hydrogen 2.878 N/A ASP 73.A N GLN 69.A O no hydrogen 2.765 N/A CYS 74.A N TYR 70.A O no hydrogen 2.839 N/A LYS 75.A N ASP 73.A O no hydrogen 2.993 N/A LYS 75.A NZ ARG 72.A O no hydrogen 3.078 N/A ASP 76.A N GLU 80.A O no hydrogen 3.296 N/A GLY 79.A N ASP 76.A O no hydrogen 2.832 N/A GLU 80.A N ASP 76.A OD1 no hydrogen 3.079 N/A LYS 81.A NZ ASN 71.A OD1 no hydrogen 2.743 N/A GLY 82.A N CYS 74.A O no hydrogen 2.835 N/A ARG 83.A NH2 TRP 53.A O no hydrogen 2.941 N/A CYS 84.A N GLY 82.A O no hydrogen 2.990 N/A VAL 85.A N TYR 59.A O no hydrogen 3.061 N/A ALA 88.A N CYS 84.A O no hydrogen 2.892 N/A ILE 89.A N VAL 85.A O no hydrogen 2.947 N/A TYR 90.A N ALA 86.A O no hydrogen 3.058 N/A TYR 90.A OH ASP 199.A OD2 no hydrogen 2.777 N/A ASN 91.A N GLY 87.A O no hydrogen 2.889 N/A TYR 92.A N ALA 88.A O no hydrogen 2.894 N/A THR 93.A N ILE 89.A O no hydrogen 2.950 N/A THR 93.A OG1 ILE 89.A O no hydrogen 2.655 N/A THR 93.A OG1 TYR 90.A O no hydrogen 2.877 N/A THR 94.A N TYR 90.A O no hydrogen 3.060 N/A THR 94.A OG1 TYR 90.A O no hydrogen 2.817 N/A GLN 95.A N ASN 91.A O no hydrogen 3.040 N/A GLN 95.A NE2 ASN 91.A OD1 no hydrogen 2.898 N/A LEU 96.A N TYR 92.A O no hydrogen 3.071 N/A LEU 97.A N THR 93.A O no hydrogen 3.156 N/A LEU 97.A N THR 94.A O no hydrogen 3.160 N/A SER 98.A N GLN 95.A O no hydrogen 3.063 N/A TYR 99.A N LEU 96.A O no hydrogen 3.082 N/A TYR 99.A OH GLU 27.A OE1 no hydrogen 2.389 N/A THR 105.A OG1 LEU 28.A O no hydrogen 2.639 N/A GLU 106.A N ASN 103.A OD1 no hydrogen 3.003 N/A ALA 107.A N ASN 103.A O no hydrogen 3.087 N/A LEU 108.A N LEU 104.A O no hydrogen 2.999 N/A LEU 109.A N THR 105.A O no hydrogen 2.986 N/A PHE 110.A N GLU 106.A O no hydrogen 2.728 N/A VAL 111.A N ALA 107.A O no hydrogen 2.877 N/A SER 112.A N LEU 108.A O no hydrogen 2.970 N/A SER 112.A OG LEU 108.A O no hydrogen 2.809 N/A HIS 113.A N LEU 109.A O no hydrogen 3.129 N/A HIS 113.A ND1 CYS 41.A O no hydrogen 2.805 N/A PHE 114.A N PHE 110.A O no hydrogen 2.792 N/A MET 115.A N VAL 111.A O no hydrogen 2.844 N/A GLY 116.A N SER 112.A O no hydrogen 3.452 N/A ASP 117.A N HIS 113.A O no hydrogen 2.890 N/A ILE 118.A N PHE 114.A O no hydrogen 2.875 N/A HIS 119.A N GLY 116.A O no hydrogen 2.965 N/A HIS 119.A ND1 MET 115.A O no hydrogen 2.844 N/A GLN 120.A N ASP 117.A O no hydrogen 2.963 N/A GLN 120.A NE2 HIS 147.A O no hydrogen 3.699 N/A GLN 120.A NE2 ASP 151.A OD1 no hydrogen 2.878 N/A LEU 122.A N GLN 120.A OE1 no hydrogen 2.854 N/A HIS 123.A N GLN 120.A O no hydrogen 2.861 N/A HIS 123.A ND1 HIS 58.A O no hydrogen 2.715 N/A VAL 124.A N PRO 121.A O no hydrogen 3.073 N/A SER 125.A N ILE 60.A O no hydrogen 3.200 N/A SER 125.A OG LEU 122.A O no hydrogen 2.893 N/A SER 125.A OG TYR 214.A OH no hydrogen 3.217 N/A TYR 126.A N TYR 214.A OH no hydrogen 3.090 N/A ALA 127.A N THR 62.A O no hydrogen 3.306 N/A SER 128.A OG ASP 64.A OD1 no hydrogen 2.875 N/A SER 128.A OG ASP 64.A OD2 no hydrogen 3.532 N/A LYS 130.A N ALA 127.A O no hydrogen 3.078 N/A GLY 131.A N TYR 126.A O no hydrogen 2.962 N/A GLY 132.A N ASP 129.A OD1 no hydrogen 2.880 N/A ASN 133.A N LYS 130.A O no hydrogen 3.157 N/A ASN 133.A ND2 LYS 130.A O no hydrogen 2.835 N/A THR 134.A N ASP 129.A O no hydrogen 3.161 N/A ILE 135.A N GLY 132.A O no hydrogen 3.249 N/A GLU 136.A N GLU 219.A OE1 no hydrogen 2.908 N/A VAL 137.A N ALA 144.A O no hydrogen 2.822 N/A HIS 138.A N ASP 221.A O no hydrogen 2.922 N/A TRP 139.A N ARG 142.A O no hydrogen 2.815 N/A TRP 139.A NE1 THR 157.A OG1 no hydrogen 2.864 N/A TYR 140.A N LEU 223.A O no hydrogen 2.868 N/A TYR 140.A OH ASP 225.A OD1 no hydrogen 2.711 N/A ARG 142.A N TRP 139.A O no hydrogen 3.104 N/A ALA 144.A N VAL 137.A O no hydrogen 2.947 N/A LEU 146.A N ILE 135.A O no hydrogen 2.974 N/A HIS 147.A N GLY 132.A O no hydrogen 3.309 N/A HIS 147.A ND1 GLY 131.A O no hydrogen 2.830 N/A HIS 148.A N ASN 145.A OD1 no hydrogen 2.833 N/A HIS 148.A ND1 ASN 153.A OD1 no hydrogen 2.696 N/A ILE 149.A N ASN 145.A O no hydrogen 3.107 N/A TRP 150.A N LEU 146.A O no hydrogen 3.203 N/A TRP 150.A NE1 TYR 227.A OH no hydrogen 2.871 N/A ASP 151.A N HIS 147.A O no hydrogen 2.826 N/A SER 152.A N HIS 148.A O no hydrogen 2.883 N/A ASN 153.A N HIS 148.A O no hydrogen 3.258 N/A ILE 154.A N ILE 149.A O no hydrogen 3.093 N/A GLU 156.A N SER 152.A O no hydrogen 2.810 N/A THR 157.A N ASN 153.A O no hydrogen 2.833 N/A THR 157.A OG1 ASN 153.A O no hydrogen 2.833 N/A ALA 158.A N ILE 154.A O no hydrogen 2.985 N/A GLU 159.A N ILE 155.A O no hydrogen 2.803 N/A ALA 160.A N GLU 156.A O no hydrogen 3.081 N/A ASP 161.A N THR 157.A O no hydrogen 2.893 N/A LEU 162.A N ALA 158.A O no hydrogen 2.859 N/A TYR 163.A N ALA 158.A O no hydrogen 3.020 N/A TYR 163.A OH TYR 236.A OH no hydrogen 2.742 N/A SER 165.A N GLU 159.A O no hydrogen 2.825 N/A ALA 166.A N TYR 163.A O no hydrogen 2.944 N/A GLY 169.A N ALA 166.A O no hydrogen 2.823 N/A MET 170.A N LEU 167.A O no hydrogen 2.980 N/A VAL 171.A N LEU 167.A O no hydrogen 3.140 N/A ASP 172.A N GLU 168.A O no hydrogen 2.825 N/A ALA 173.A N GLY 169.A O no hydrogen 3.044 N/A LEU 174.A N MET 170.A O no hydrogen 2.918 N/A LYS 175.A N VAL 171.A O no hydrogen 2.853 N/A LYS 176.A N ASP 172.A O no hydrogen 2.972 N/A ASN 177.A N ALA 173.A O no hydrogen 3.116 N/A ILE 178.A N LEU 174.A O no hydrogen 2.887 N/A THR 179.A N LYS 175.A O no hydrogen 3.199 N/A THR 179.A OG1 LYS 175.A O no hydrogen 3.191 N/A THR 180.A N LYS 176.A O no hydrogen 2.879 N/A THR 180.A OG1 LYS 176.A O no hydrogen 2.832 N/A GLU 181.A N ASN 177.A O no hydrogen 2.921 N/A TRP 182.A N ASN 177.A O no hydrogen 2.906 N/A VAL 186.A N TRP 182.A O no hydrogen 2.811 N/A LYS 187.A N ALA 183.A O no hydrogen 3.303 N/A TRP 189.A N GLN 185.A O no hydrogen 2.805 N/A GLU 190.A N VAL 186.A O no hydrogen 2.992 N/A THR 191.A N ARG 188.A O no hydrogen 3.267 N/A THR 191.A OG1 LYS 187.A O no hydrogen 2.732 N/A CYS 192.A SG LYS 194.A O no hydrogen 3.541 N/A LYS 194.A NZ TYR 90.A OH no hydrogen 3.302 N/A ILE 200.A N CYS 197.A O no hydrogen 3.151 N/A ALA 202.A N PRO 198.A O no hydrogen 2.953 N/A SER 203.A N ASP 199.A O no hydrogen 3.075 N/A SER 203.A OG ASP 199.A O no hydrogen 3.097 N/A GLU 204.A N ILE 200.A O no hydrogen 3.159 N/A GLY 205.A N TYR 201.A O no hydrogen 3.005 N/A ILE 206.A N ALA 202.A O no hydrogen 2.959 N/A GLN 207.A N SER 203.A O no hydrogen 3.373 N/A GLN 207.A NE2 ASP 211.A OD1 no hydrogen 3.516 N/A GLN 207.A NE2 ASP 211.A OD2 no hydrogen 2.819 N/A ALA 208.A N GLU 204.A O no hydrogen 2.957 N/A ALA 209.A N GLY 205.A O no hydrogen 2.827 N/A CYS 210.A N ILE 206.A O no hydrogen 3.025 N/A CYS 210.A SG ALA 65.A O no hydrogen 3.955 N/A CYS 210.A SG TYR 126.A OH no hydrogen 3.539 N/A CYS 210.A SG ILE 206.A O no hydrogen 3.708 N/A ASP 211.A N GLN 207.A O no hydrogen 2.923 N/A TRP 212.A N ALA 208.A O no hydrogen 2.755 N/A ALA 213.A N ALA 208.A O no hydrogen 3.153 N/A TYR 214.A N ALA 209.A O no hydrogen 2.788 N/A TYR 214.A OH ASP 129.A OD1 no hydrogen 2.680 N/A VAL 217.A N TYR 214.A O no hydrogen 3.060 N/A THR 218.A N ASP 221.A OD2 no hydrogen 2.800 N/A GLY 220.A N GLU 136.A O no hydrogen 2.859 N/A ASP 221.A N THR 218.A O no hydrogen 2.944 N/A LEU 223.A N HIS 138.A O no hydrogen 2.801 N/A TYR 227.A OH ALA 213.A O no hydrogen 2.727 N/A PHE 228.A N GLU 224.A O no hydrogen 2.853 N/A TYR 229.A N ASP 225.A O no hydrogen 2.828 N/A SER 230.A N GLU 226.A O no hydrogen 3.217 N/A SER 230.A OG GLU 226.A O no hydrogen 2.717 N/A SER 230.A OG TYR 227.A O no hydrogen 3.177 N/A ARG 231.A N TYR 227.A O no hydrogen 2.952 N/A ARG 231.A NE TRP 212.A O no hydrogen 2.838 N/A ARG 231.A NH1 SER 230.A OG no hydrogen 2.819 N/A ARG 231.A NH2 TRP 212.A O no hydrogen 3.377 N/A LEU 232.A N PHE 228.A O no hydrogen 3.020 N/A VAL 235.A N ARG 231.A O no hydrogen 3.167 N/A TYR 236.A N LEU 232.A O no hydrogen 2.813 N/A GLN 237.A N PRO 233.A O no hydrogen 2.893 N/A GLN 237.A NE2 GLN 241.A OE1 no hydrogen 2.975 N/A ARG 238.A N ILE 234.A O no hydrogen 2.938 N/A ARG 238.A NE HIS 119.A O no hydrogen 2.867 N/A ARG 238.A NH1 GLU 204.A OE1 no hydrogen 2.797 N/A ARG 238.A NH1 GLN 241.A OE1 no hydrogen 2.887 N/A ARG 238.A NH2 TYR 201.A O no hydrogen 2.972 N/A LEU 239.A N VAL 235.A O no hydrogen 2.951 N/A ALA 240.A N TYR 236.A O no hydrogen 2.950 N/A GLN 241.A N GLN 237.A O no hydrogen 2.820 N/A GLY 242.A N ARG 238.A O no hydrogen 2.924 N/A GLY 243.A N LEU 239.A O no hydrogen 3.016 N/A VAL 244.A N ALA 240.A O no hydrogen 2.975 N/A ARG 245.A N GLN 241.A O no hydrogen 2.867 N/A ARG 245.A NE TRP 189.A O no hydrogen 3.090 N/A ARG 245.A NH1 HIS 119.A NE2 no hydrogen 3.037 N/A ARG 245.A NH1 GLU 204.A OE1 no hydrogen 2.762 N/A ARG 245.A NH2 GLU 204.A OE1 no hydrogen 3.544 N/A ARG 245.A NH2 GLU 204.A OE2 no hydrogen 2.902 N/A LEU 246.A N GLY 242.A O no hydrogen 2.915 N/A ALA 247.A N GLY 243.A O no hydrogen 3.101 N/A ALA 248.A N VAL 244.A O no hydrogen 2.972 N/A THR 249.A N ARG 245.A O no hydrogen 2.873 N/A THR 249.A OG1 ARG 245.A O no hydrogen 2.748 N/A LEU 250.A N LEU 246.A O no hydrogen 2.926 N/A ASN 251.A N ALA 247.A O no hydrogen 2.799 N/A ASN 251.A ND2 ARG 16.A O no hydrogen 3.147 N/A ARG 252.A N ALA 248.A O no hydrogen 3.017 N/A ARG 252.A NE THR 195.A O no hydrogen 2.876 N/A ARG 252.A NH1 GLU 190.A O no hydrogen 2.868 N/A ARG 252.A NH2 THR 195.A O no hydrogen 3.190 N/A ILE 253.A N THR 249.A O no hydrogen 2.845 N/A PHE 254.A N LEU 250.A O no hydrogen 2.962 N/A