Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f9a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ARG 277.A O no hydrogen 2.609 N/A GLY 4.A N SER 1.A O no hydrogen 3.412 N/A ARG 8.A N GLY 4.A O no hydrogen 3.019 N/A ARG 8.A NH1 ASP 266.A OD2 no hydrogen 3.026 N/A ALA 9.A N PRO 5.A O no hydrogen 2.851 N/A GLU 10.A N GLU 6.A O no hydrogen 2.928 N/A LEU 11.A N ALA 7.A O no hydrogen 2.896 N/A SER 12.A N ARG 8.A O no hydrogen 3.004 N/A SER 13.A N ALA 9.A O no hydrogen 2.829 N/A ARG 14.A N GLU 10.A O no hydrogen 3.017 N/A ARG 14.A NE GLU 10.A OE2 no hydrogen 2.737 N/A ARG 14.A NH1 GLU 244.A OE1 no hydrogen 2.835 N/A ARG 14.A NH1 GLU 244.A OE2 no hydrogen 3.544 N/A ARG 14.A NH1 ASN 281.A O no hydrogen 3.137 N/A ARG 14.A NH2 GLU 10.A OE2 no hydrogen 3.268 N/A LEU 15.A N LEU 11.A O no hydrogen 2.995 N/A THR 16.A N SER 12.A O no hydrogen 2.880 N/A THR 16.A OG1 SER 12.A O no hydrogen 2.974 N/A THR 17.A N SER 13.A O no hydrogen 3.136 N/A THR 17.A OG1 SER 13.A O no hydrogen 3.210 N/A LEU 18.A N ARG 14.A O no hydrogen 3.157 N/A ARG 19.A N LEU 15.A O no hydrogen 2.950 N/A ARG 19.A NE GLY 256.A O no hydrogen 3.082 N/A ARG 19.A NH2 GLN 260.A O no hydrogen 3.039 N/A ASN 20.A N THR 16.A O no hydrogen 3.058 N/A THR 21.A N THR 17.A O no hydrogen 2.979 N/A THR 21.A OG1 THR 17.A O no hydrogen 3.185 N/A LEU 22.A N LEU 18.A O no hydrogen 2.911 N/A ALA 23.A N ASN 20.A O no hydrogen 3.230 N/A ALA 25.A N ASP 28.A OD2 no hydrogen 2.975 N/A ARG 30.A N ASP 28.A OD1 no hydrogen 2.799 N/A ARG 30.A NE ASP 28.A OD1 no hydrogen 3.066 N/A ARG 30.A NE ASP 28.A OD2 no hydrogen 3.316 N/A ARG 30.A NH1 THR 21.A O no hydrogen 2.878 N/A ARG 30.A NH2 THR 21.A O no hydrogen 3.446 N/A ARG 30.A NH2 ASP 28.A OD2 no hydrogen 2.792 N/A TYR 31.A N ASP 28.A O no hydrogen 3.015 N/A TYR 31.A OH LEU 22.A O no hydrogen 2.593 N/A LEU 32.A N CYS 48.A O no hydrogen 2.771 N/A GLN 33.A NE2 ASP 28.A O no hydrogen 3.190 N/A GLN 33.A NE2 TYR 31.A O no hydrogen 3.087 N/A LYS 39.A NZ ARG 42.A O no hydrogen 3.086 N/A ARG 42.A N GLN 74.A OE1 no hydrogen 2.817 N/A ARG 42.A NE TYR 75.A O no hydrogen 2.865 N/A ARG 42.A NH1 GLY 111.A O no hydrogen 3.089 N/A ARG 42.A NH2 TYR 75.A O no hydrogen 3.055 N/A ARG 42.A NH2 PRO 76.A O no hydrogen 2.995 N/A ARG 42.A NH2 GLY 111.A O no hydrogen 2.845 N/A ILE 46.A N PHE 43.A O no hydrogen 2.958 N/A GLN 47.A NE2 ARG 44.A O no hydrogen 3.115 N/A CYS 48.A SG ARG 49.A O no hydrogen 3.830 N/A CYS 48.A SG LEU 58.A O no hydrogen 4.000 N/A CYS 48.A SG ALA 60.A O no hydrogen 3.245 N/A CYS 48.A SG ASN 61.A OD1 no hydrogen 3.355 N/A ARG 49.A N ARG 254.A O no hydrogen 2.951 N/A ARG 49.A NH2 GLN 51.A OE1 no hydrogen 3.217 N/A ARG 50.A N ARG 30.A O no hydrogen 2.808 N/A ARG 50.A NE TYR 31.A O no hydrogen 3.328 N/A ARG 50.A NH1 TYR 31.A O no hydrogen 2.944 N/A THR 52.A OG1 ARG 49.A O no hydrogen 3.542 N/A THR 52.A OG1 GLN 253.A O no hydrogen 2.680 N/A ALA 53.A N ARG 50.A O no hydrogen 3.155 N/A VAL 54.A N ALA 60.A O no hydrogen 3.196 N/A ARG 55.A NE SER 83.A OG no hydrogen 2.736 N/A LEU 58.A N ARG 55.A O no hydrogen 3.241 N/A ASN 59.A ND2 ASN 41.A OD1 no hydrogen 2.774 N/A ASN 59.A ND2 ILE 46.A O no hydrogen 3.036 N/A ASN 61.A N ALA 72.A O no hydrogen 2.799 N/A ASN 61.A ND2 ARG 49.A O no hydrogen 2.860 N/A ASN 61.A ND2 THR 52.A OG1 no hydrogen 2.918 N/A TYR 62.A N THR 52.A O no hydrogen 2.849 N/A ILE 63.A N THR 70.A O no hydrogen 2.892 N/A GLN 64.A N GLN 253.A OE1 no hydrogen 2.792 N/A GLN 64.A NE2 GLY 66.A O no hydrogen 2.881 N/A VAL 65.A N THR 68.A O no hydrogen 2.900 N/A GLY 66.A N GLN 249.A OE1 no hydrogen 2.836 N/A ASN 67.A N ASN 238.A OD1 no hydrogen 2.797 N/A ASN 67.A ND2 ASN 238.A OD1 no hydrogen 3.118 N/A THR 68.A N VAL 65.A O no hydrogen 2.954 N/A THR 68.A OG1 ASP 235.A OD2 no hydrogen 2.768 N/A ARG 69.A NE ASP 208.A OD2 no hydrogen 2.575 N/A THR 70.A N ILE 63.A O no hydrogen 2.869 N/A ILE 71.A N PRO 213.A O no hydrogen 2.849 N/A ALA 72.A N ASN 61.A O no hydrogen 2.983 N/A CYS 73.A N ILE 215.A O no hydrogen 3.093 N/A CYS 73.A SG GLN 74.A O no hydrogen 3.446 N/A GLN 74.A N ASN 59.A O no hydrogen 2.996 N/A GLN 74.A NE2 LEU 40.A O no hydrogen 2.994 N/A GLN 74.A NE2 GLN 80.A OE1 no hydrogen 3.226 N/A TYR 75.A N ARG 218.A O no hydrogen 2.947 N/A TYR 75.A OH PRO 113.A O no hydrogen 2.629 N/A LEU 77.A N GLN 80.A OE1 no hydrogen 2.993 N/A SER 79.A OG GLU 38.A OE2 no hydrogen 3.515 N/A GLN 80.A N LEU 77.A O no hydrogen 2.807 N/A GLN 80.A NE2 LEU 40.A O no hydrogen 2.939 N/A LEU 81.A N GLN 78.A O no hydrogen 3.342 N/A SER 83.A OG ASP 57.A OD1 no hydrogen 3.308 N/A SER 83.A OG ASP 57.A OD2 no hydrogen 2.620 N/A HIS 84.A N GLN 80.A O no hydrogen 2.831 N/A HIS 84.A NE2 TYR 115.A OH no hydrogen 2.897 N/A PHE 85.A N LEU 81.A O no hydrogen 2.857 N/A ARG 86.A N GLU 82.A O no hydrogen 2.956 N/A ARG 86.A NE GLU 152.A OE1 no hydrogen 2.855 N/A ARG 86.A NH1 GLU 152.A OE1 no hydrogen 3.418 N/A ARG 86.A NH1 GLU 152.A OE2 no hydrogen 2.867 N/A ARG 86.A NH2 GLU 90.A OE1 no hydrogen 2.921 N/A MET 87.A N SER 83.A O no hydrogen 2.867 N/A LEU 88.A N HIS 84.A O no hydrogen 2.959 N/A ALA 89.A N PHE 85.A O no hydrogen 2.926 N/A GLU 90.A N ARG 86.A O no hydrogen 2.832 N/A ASN 91.A N MET 87.A O no hydrogen 2.999 N/A ASN 91.A ND2 THR 93.A OG1 no hydrogen 2.951 N/A ASN 91.A ND2 ARG 212.A O no hydrogen 2.746 N/A ARG 92.A N ALA 89.A O no hydrogen 2.923 N/A ARG 92.A NH1 ALA 89.A O no hydrogen 2.892 N/A THR 93.A N LEU 88.A O no hydrogen 3.173 N/A THR 93.A OG1 LEU 88.A O no hydrogen 2.701 N/A LEU 96.A N PRO 161.A O no hydrogen 2.860 N/A ALA 97.A N VAL 214.A O no hydrogen 2.766 N/A VAL 98.A N VAL 163.A O no hydrogen 2.845 N/A LEU 99.A N HIS 216.A O no hydrogen 2.806 N/A SER 101.A N GLU 104.A OE2 no hydrogen 2.804 N/A SER 101.A OG GLU 104.A OE2 no hydrogen 3.286 N/A SER 102.A N GLY 166.A O no hydrogen 2.719 N/A SER 102.A OG GLY 166.A O no hydrogen 3.451 N/A GLU 104.A N SER 101.A OG no hydrogen 3.109 N/A ILE 105.A N SER 101.A O no hydrogen 3.008 N/A ALA 106.A N SER 102.A O no hydrogen 2.870 N/A ASN 107.A N SER 103.A O no hydrogen 3.200 N/A ASN 107.A N GLU 104.A O no hydrogen 3.125 N/A ARG 109.A N ASN 107.A OD1 no hydrogen 3.117 N/A ARG 109.A NH1 ASN 107.A OD1 no hydrogen 3.024 N/A PHE 110.A N ASN 107.A O no hydrogen 2.908 N/A GLY 111.A N GLN 108.A O no hydrogen 3.348 N/A TYR 115.A N PRO 113.A O no hydrogen 2.822 N/A TYR 115.A OH HIS 216.A NE2 no hydrogen 2.614 N/A ARG 117.A NE ASP 114.A OD1 no hydrogen 2.788 N/A ARG 117.A NH1 SER 102.A OG no hydrogen 2.688 N/A ARG 117.A NH2 ASP 114.A OD1 no hydrogen 3.178 N/A GLY 120.A N VAL 127.A O no hydrogen 2.946 N/A THR 121.A OG1 THR 126.A OG1 no hydrogen 3.048 N/A TYR 122.A N ILE 125.A O no hydrogen 2.798 N/A SER 124.A N GLU 82.A OE1 no hydrogen 2.950 N/A ILE 125.A N TYR 122.A O no hydrogen 3.015 N/A THR 126.A N ARG 151.A O no hydrogen 2.836 N/A THR 126.A OG1 THR 121.A OG1 no hydrogen 3.048 N/A VAL 127.A N GLY 120.A O no hydrogen 2.772 N/A GLU 128.A N THR 149.A O no hydrogen 2.900 N/A SER 129.A N SER 119.A OG no hydrogen 3.006 N/A SER 129.A OG PHE 116.A O no hydrogen 2.733 N/A LYS 130.A N THR 147.A O no hydrogen 2.959 N/A THR 132.A N MET 145.A O no hydrogen 2.850 N/A GLN 134.A NE2 ASP 144.A OD2 no hydrogen 2.722 N/A VAL 135.A N ALA 143.A O no hydrogen 2.822 N/A LEU 137.A N ILE 141.A O no hydrogen 2.795 N/A ILE 141.A N GLY 138.A O no hydrogen 2.889 N/A MET 142.A N ASN 167.A OD1 no hydrogen 2.920 N/A ALA 143.A N VAL 135.A O no hydrogen 2.854 N/A ASP 144.A N HIS 164.A O no hydrogen 2.777 N/A MET 145.A N GLN 133.A O no hydrogen 2.862 N/A TYR 146.A N VAL 162.A O no hydrogen 3.010 N/A THR 147.A N LYS 130.A O no hydrogen 2.830 N/A LEU 148.A N VAL 160.A O no hydrogen 2.848 N/A THR 149.A N GLU 128.A O no hydrogen 2.780 N/A THR 149.A OG1 SER 159.A OG no hydrogen 3.156 N/A ILE 150.A N ILE 158.A O no hydrogen 2.803 N/A ARG 151.A N THR 126.A O no hydrogen 2.833 N/A GLN 155.A N GLU 152.A O no hydrogen 3.009 N/A ILE 158.A N ILE 150.A O no hydrogen 3.165 N/A SER 159.A OG THR 149.A OG1 no hydrogen 3.156 N/A VAL 160.A N LEU 148.A O no hydrogen 2.779 N/A VAL 162.A N TYR 146.A O no hydrogen 2.802 N/A VAL 163.A N LEU 96.A O no hydrogen 2.823 N/A HIS 164.A N ASP 144.A O no hydrogen 2.773 N/A HIS 164.A NE2 ALA 100.A O no hydrogen 2.823 N/A VAL 165.A N VAL 98.A O no hydrogen 3.012 N/A ASN 167.A ND2 GLY 140.A O no hydrogen 2.923 N/A PHE 168.A N VAL 165.A O no hydrogen 3.171 N/A SER 175.A OG GLU 177.A OE2 no hydrogen 3.394 N/A SER 176.A OG GLU 177.A OE2 no hydrogen 3.350 N/A GLU 177.A N GLU 177.A OE2 no hydrogen 2.958 N/A VAL 178.A N SER 175.A OG no hydrogen 3.107 N/A THR 179.A N SER 175.A O no hydrogen 2.892 N/A THR 179.A OG1 SER 175.A O no hydrogen 2.791 N/A LYS 180.A N SER 176.A O no hydrogen 2.833 N/A ALA 181.A N GLU 177.A O no hydrogen 3.055 N/A LEU 182.A N VAL 178.A O no hydrogen 2.865 N/A ALA 183.A N THR 179.A O no hydrogen 2.835 N/A SER 184.A N LYS 180.A O no hydrogen 2.905 N/A SER 184.A OG LYS 180.A O no hydrogen 3.234 N/A LEU 185.A N ALA 181.A O no hydrogen 2.996 N/A VAL 186.A N LEU 182.A O no hydrogen 2.871 N/A ASP 187.A N ALA 183.A O no hydrogen 2.837 N/A GLN 188.A N SER 184.A O no hydrogen 2.827 N/A GLN 188.A NE2 GLN 188.A O no hydrogen 3.222 N/A GLN 188.A NE2 THR 192.A OG1 no hydrogen 3.347 N/A THR 189.A N LEU 185.A O no hydrogen 2.886 N/A THR 189.A OG1 LEU 185.A O no hydrogen 2.815 N/A ALA 190.A N VAL 186.A O no hydrogen 2.925 N/A GLU 191.A N ASP 187.A O no hydrogen 2.830 N/A THR 192.A N GLN 188.A O no hydrogen 3.019 N/A THR 192.A OG1 GLN 188.A O no hydrogen 3.215 N/A LYS 193.A N THR 189.A O no hydrogen 3.174 N/A LYS 193.A NZ SER 159.A O no hydrogen 3.024 N/A ARG 194.A N ALA 190.A O no hydrogen 2.760 N/A ARG 194.A NH2 LEU 211.A O no hydrogen 2.509 N/A ASN 195.A N GLU 191.A O no hydrogen 2.916 N/A MET 196.A N THR 192.A O no hydrogen 3.143 N/A TYR 197.A N LYS 193.A O no hydrogen 3.245 N/A GLU 198.A N ARG 194.A O no hydrogen 2.920 N/A SER 199.A N ASN 195.A O no hydrogen 2.830 N/A SER 199.A OG MET 196.A O no hydrogen 2.564 N/A LYS 200.A N MET 196.A O no hydrogen 3.176 N/A LYS 200.A N TYR 197.A O no hydrogen 3.099 N/A GLY 201.A N GLU 198.A O no hydrogen 2.987 N/A SER 202.A N TYR 197.A O no hydrogen 3.012 N/A ALA 204.A N SER 202.A OG no hydrogen 3.144 N/A VAL 205.A N SER 202.A O no hydrogen 3.466 N/A ALA 206.A N SER 203.A O no hydrogen 3.277 N/A ASP 207.A N ALA 204.A O no hydrogen 3.188 N/A SER 209.A N ASP 207.A OD2 no hydrogen 2.882 N/A SER 209.A OG ASP 207.A OD1 no hydrogen 3.429 N/A SER 209.A OG ASP 207.A OD2 no hydrogen 2.679 N/A LYS 210.A N ASP 207.A O no hydrogen 3.059 N/A LYS 210.A NZ GLU 90.A O no hydrogen 2.848 N/A LEU 211.A N ASN 91.A O no hydrogen 2.764 N/A ARG 212.A N ASN 91.A OD1 no hydrogen 3.113 N/A ARG 212.A NE ASP 208.A O no hydrogen 2.976 N/A ARG 212.A NH1 THR 70.A O no hydrogen 2.970 N/A ARG 212.A NH2 ASP 208.A O no hydrogen 3.064 N/A ARG 212.A NH2 ASP 208.A OD1 no hydrogen 3.161 N/A VAL 214.A N VAL 95.A O no hydrogen 2.936 N/A ILE 215.A N ILE 71.A O no hydrogen 2.846 N/A HIS 216.A N ALA 97.A O no hydrogen 3.025 N/A HIS 216.A ND1 CYS 217.A O no hydrogen 3.035 N/A HIS 216.A NE2 TYR 115.A OH no hydrogen 2.614 N/A CYS 217.A SG THR 224.A OG1 no hydrogen 3.127 N/A ARG 223.A NH1 GLU 104.A OE2 no hydrogen 2.696 N/A ARG 223.A NH2 GLU 104.A OE1 no hydrogen 2.872 N/A ARG 223.A NH2 GLU 104.A OE2 no hydrogen 3.399 N/A GLN 226.A N GLY 222.A O no hydrogen 2.884 N/A GLN 226.A NE2 VAL 174.A O no hydrogen 3.365 N/A GLN 226.A NE2 THR 179.A OG1 no hydrogen 2.833 N/A LEU 227.A N ARG 223.A O no hydrogen 2.965 N/A ILE 228.A N THR 224.A O no hydrogen 2.977 N/A GLY 229.A N ALA 225.A O no hydrogen 2.909 N/A ALA 230.A N GLN 226.A O no hydrogen 3.091 N/A MET 231.A N LEU 227.A O no hydrogen 2.802 N/A CYS 232.A N ILE 228.A O no hydrogen 2.936 N/A CYS 232.A SG GLY 229.A O no hydrogen 3.256 N/A MET 233.A N GLY 229.A O no hydrogen 3.111 N/A ASN 234.A N ALA 230.A O no hydrogen 3.108 N/A ASN 234.A N MET 231.A O no hydrogen 3.055 N/A ASN 234.A ND2 ASP 187.A OD2 no hydrogen 2.628 N/A ASP 235.A N CYS 232.A O no hydrogen 3.230 N/A ARG 237.A N ASP 235.A OD1 no hydrogen 2.985 N/A ARG 237.A NE ASP 235.A OD1 no hydrogen 3.006 N/A ARG 237.A NE ASP 235.A OD2 no hydrogen 3.379 N/A ARG 237.A NH2 ASP 235.A OD2 no hydrogen 2.762 N/A ASN 238.A N ASP 235.A O no hydrogen 3.074 N/A ASN 238.A ND2 VAL 65.A O no hydrogen 3.603 N/A ASN 238.A ND2 THR 68.A OG1 no hydrogen 2.809 N/A ASN 238.A ND2 CYS 232.A O no hydrogen 2.917 N/A LEU 241.A N ASN 238.A O no hydrogen 3.131 N/A SER 242.A N ASP 245.A OD2 no hydrogen 3.180 N/A SER 242.A OG ASN 281.A OD1 no hydrogen 2.605 N/A VAL 243.A N PRO 278.A O no hydrogen 3.065 N/A GLU 244.A N LEU 279.A O no hydrogen 2.829 N/A ASP 245.A N SER 242.A OG no hydrogen 2.893 N/A MET 246.A N SER 242.A O no hydrogen 2.978 N/A VAL 247.A N VAL 243.A O no hydrogen 2.971 N/A SER 248.A N GLU 244.A O no hydrogen 2.927 N/A SER 248.A OG GLU 244.A O no hydrogen 2.704 N/A SER 248.A OG ASP 245.A O no hydrogen 3.041 N/A GLN 249.A N ASP 245.A O no hydrogen 2.874 N/A MET 250.A N MET 246.A O no hydrogen 3.009 N/A ARG 251.A N VAL 247.A O no hydrogen 2.937 N/A ARG 251.A NE MET 258.A O no hydrogen 2.758 N/A ARG 251.A NH2 MET 258.A O no hydrogen 3.049 N/A ARG 251.A NH2 VAL 259.A O no hydrogen 3.015 N/A VAL 252.A N SER 248.A O no hydrogen 2.906 N/A GLN 253.A N GLN 249.A O no hydrogen 3.050 N/A GLN 253.A NE2 GLN 64.A O no hydrogen 2.893 N/A ARG 254.A N ARG 251.A O no hydrogen 3.415 N/A ARG 254.A NE GLY 220.A O no hydrogen 2.942 N/A ARG 254.A NH1 ASN 59.A OD1 no hydrogen 2.834 N/A ARG 254.A NH1 ASN 61.A OD1 no hydrogen 2.886 N/A ARG 254.A NH2 ASN 59.A OD1 no hydrogen 2.949 N/A ARG 254.A NH2 ALA 219.A O no hydrogen 2.975 N/A ASN 255.A ND2 GLN 47.A O no hydrogen 2.906 N/A ILE 257.A N ASN 255.A OD1 no hydrogen 2.935 N/A MET 258.A N ASN 255.A O no hydrogen 3.297 N/A VAL 259.A N VAL 221.A O no hydrogen 2.737 N/A LYS 261.A N GLN 264.A OE1 no hydrogen 2.975 N/A GLU 263.A N GLU 263.A OE2 no hydrogen 2.775 N/A GLN 264.A N LYS 261.A O no hydrogen 3.094 N/A LEU 265.A N LYS 261.A O no hydrogen 3.142 N/A ASP 266.A N ASP 262.A O no hydrogen 2.838 N/A LEU 268.A N GLN 264.A O no hydrogen 3.268 N/A ILE 269.A N LEU 265.A O no hydrogen 2.887 N/A LYS 270.A N ASP 266.A O no hydrogen 2.940 N/A LYS 270.A NZ SER 176.A OG no hydrogen 2.865 N/A LYS 270.A NZ GLU 177.A OE1 no hydrogen 2.949 N/A LYS 270.A NZ GLU 177.A OE2 no hydrogen 3.363 N/A LEU 271.A N VAL 267.A O no hydrogen 2.958 N/A ALA 272.A N LEU 268.A O no hydrogen 2.878 N/A GLU 273.A N ILE 269.A O no hydrogen 2.823 N/A GLY 274.A N LYS 270.A O no hydrogen 2.949 N/A GLN 275.A N ALA 272.A O no hydrogen 2.963 N/A GLN 275.A NE2 MET 233.A O no hydrogen 2.890 N/A GLY 276.A N GLU 273.A O no hydrogen 3.061 N/A ARG 277.A N ALA 272.A O no hydrogen 2.952 N/A ARG 277.A NE GLN 275.A OE1 no hydrogen 2.803 N/A ARG 277.A NH1 ASN 238.A O no hydrogen 2.899 N/A ARG 277.A NH1 LEU 241.A O no hydrogen 2.880 N/A ARG 277.A NH2 GLN 275.A OE1 no hydrogen 2.924 N/A ASN 281.A N GLU 244.A OE1 no hydrogen 2.891 N/A ASN 281.A ND2 ASP 245.A OD1 no hydrogen 2.840 N/A