Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a5k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N MET 1.A O no hydrogen 3.215 N/A GLU 6.A N GLU 2.A O no hydrogen 2.937 N/A GLN 7.A N LYS 3.A O no hydrogen 2.627 N/A ILE 8.A N GLU 4.A O no hydrogen 2.826 N/A ASP 9.A N PHE 5.A O no hydrogen 3.002 N/A LYS 10.A N GLU 6.A O no hydrogen 2.935 N/A SER 11.A N GLN 7.A O no hydrogen 2.932 N/A GLY 12.A N ASP 9.A O no hydrogen 2.996 N/A SER 13.A N ILE 8.A O no hydrogen 3.073 N/A TRP 14.A NE1 ASP 9.A OD2 no hydrogen 2.655 N/A ILE 17.A N SER 13.A O no hydrogen 3.076 N/A TYR 18.A N TRP 14.A O no hydrogen 2.961 N/A TYR 18.A OH ILE 259.A O no hydrogen 2.616 N/A GLN 19.A N ALA 15.A O no hydrogen 2.841 N/A ASP 20.A N ALA 16.A O no hydrogen 2.828 N/A ILE 21.A N ILE 17.A O no hydrogen 3.026 N/A ARG 22.A N TYR 18.A O no hydrogen 3.015 N/A HIS 23.A N GLN 19.A O no hydrogen 2.973 N/A GLU 24.A N ASP 20.A O no hydrogen 2.916 N/A CYS 30.A SG PHE 28.A O no hydrogen 3.858 N/A CYS 30.A SG SER 48.A O no hydrogen 3.936 N/A CYS 30.A SG PRO 49.A O no hydrogen 3.182 N/A ARG 31.A N ASP 51.A OD2 no hydrogen 2.740 N/A VAL 32.A N ASP 51.A OD1 no hydrogen 2.922 N/A LYS 34.A N CYS 30.A O no hydrogen 3.147 N/A LYS 34.A NZ ARG 45.A O no hydrogen 3.153 N/A LEU 35.A N VAL 32.A O no hydrogen 3.052 N/A ASN 38.A N LEU 35.A O no hydrogen 2.937 N/A ASN 38.A ND2 VAL 32.A O no hydrogen 2.849 N/A LYS 39.A N PRO 36.A O no hydrogen 3.217 N/A LYS 39.A NZ PRO 36.A O no hydrogen 2.920 N/A ARG 41.A N ASN 38.A O no hydrogen 2.827 N/A ARG 41.A NH1 TYR 64.A O no hydrogen 2.899 N/A ASN 42.A N LYS 39.A O no hydrogen 3.216 N/A ASN 42.A ND2 ALA 33.A O no hydrogen 3.030 N/A ARG 43.A NE GLY 84.A O no hydrogen 2.920 N/A ARG 43.A NH2 GLY 84.A O no hydrogen 3.226 N/A ARG 43.A NH2 PRO 85.A O no hydrogen 2.932 N/A VAL 47.A N TYR 44.A O no hydrogen 3.172 N/A ASP 51.A N PRO 29.A O no hydrogen 2.780 N/A HIS 52.A NE2 LYS 253.A O no hydrogen 2.766 N/A SER 53.A OG PHE 254.A O no hydrogen 2.630 N/A ARG 54.A NH1 ASP 63.A OD2 no hydrogen 2.678 N/A ARG 54.A NH2 ASP 63.A OD1 no hydrogen 3.267 N/A ARG 54.A NH2 ASP 63.A OD2 no hydrogen 2.930 N/A ILE 55.A N ALA 67.A O no hydrogen 3.027 N/A LEU 57.A N ASP 63.A O no hydrogen 2.859 N/A HIS 58.A N GLU 99.A OE1 no hydrogen 2.862 N/A GLN 59.A N GLU 95.A OE1 no hydrogen 3.005 N/A GLN 59.A NE2 THR 136.A O no hydrogen 3.290 N/A ASN 62.A ND2 ASN 38.A OD1 no hydrogen 2.977 N/A TYR 64.A N ASN 62.A OD1 no hydrogen 3.045 N/A TYR 64.A OH ASN 42.A OD1 no hydrogen 2.646 N/A ASN 66.A ND2 ASN 42.A OD1 no hydrogen 2.847 N/A ASN 66.A ND2 VAL 47.A O no hydrogen 2.934 N/A SER 68.A N LEU 81.A O no hydrogen 2.849 N/A LEU 69.A N SER 53.A O no hydrogen 2.776 N/A ILE 70.A N TYR 79.A O no hydrogen 2.759 N/A MET 72.A N ARG 77.A O no hydrogen 2.890 N/A GLN 76.A N GLU 73.A O no hydrogen 3.324 N/A ARG 77.A N MET 72.A O no hydrogen 3.281 N/A ARG 77.A NE ASP 227.A OD2 no hydrogen 3.093 N/A ARG 77.A NH2 ASP 227.A OD1 no hydrogen 2.915 N/A ARG 77.A NH2 ASP 227.A OD2 no hydrogen 2.993 N/A TYR 79.A N ILE 70.A O no hydrogen 2.867 N/A TYR 79.A OH ASP 227.A OD2 no hydrogen 2.471 N/A TYR 79.A OH THR 228.A OG1 no hydrogen 2.788 N/A ILE 80.A N VAL 209.A O no hydrogen 2.819 N/A LEU 81.A N SER 68.A O no hydrogen 3.006 N/A THR 82.A N VAL 211.A O no hydrogen 2.979 N/A THR 82.A OG1 ASN 66.A O no hydrogen 2.659 N/A GLY 84.A N SER 214.A O no hydrogen 3.086 N/A LEU 86.A N THR 89.A OG1 no hydrogen 2.817 N/A ASN 88.A ND2 ASN 40.A O no hydrogen 2.992 N/A THR 89.A N LEU 86.A O no hydrogen 2.858 N/A THR 89.A OG1 LEU 86.A O no hydrogen 3.430 N/A CYS 90.A SG LEU 86.A O no hydrogen 3.315 N/A PHE 93.A N THR 89.A O no hydrogen 2.907 N/A TRP 94.A N CYS 90.A O no hydrogen 3.163 N/A TRP 94.A NE1 TYR 122.A O no hydrogen 2.880 N/A GLU 95.A N GLY 91.A O no hydrogen 2.926 N/A MET 96.A N HIS 92.A O no hydrogen 2.835 N/A VAL 97.A N PHE 93.A O no hydrogen 2.993 N/A TRP 98.A N TRP 94.A O no hydrogen 2.870 N/A GLU 99.A N GLU 95.A O no hydrogen 2.855 N/A GLN 100.A N MET 96.A O no hydrogen 2.843 N/A LYS 101.A N TRP 98.A O no hydrogen 3.110 N/A SER 102.A N VAL 97.A O no hydrogen 3.114 N/A SER 102.A OG PRO 208.A O no hydrogen 2.739 N/A ARG 103.A NH1 GLU 168.A O no hydrogen 2.972 N/A ARG 103.A NH1 GLU 168.A OE1 no hydrogen 2.640 N/A ARG 103.A NH2 GLU 168.A OE1 no hydrogen 2.999 N/A VAL 105.A N LEU 170.A O no hydrogen 2.911 N/A VAL 106.A N VAL 210.A O no hydrogen 2.786 N/A MET 107.A N PHE 172.A O no hydrogen 2.813 N/A LEU 108.A N HIS 212.A O no hydrogen 3.001 N/A SER 116.A N GLU 113.A O no hydrogen 2.664 N/A SER 116.A OG GLU 113.A OE2 no hydrogen 3.306 N/A LYS 118.A NZ GLN 121.A OE1 no hydrogen 2.807 N/A TRP 119.A N VAL 111.A O no hydrogen 2.688 N/A GLN 121.A NE2 TRP 123.A O no hydrogen 2.928 N/A TYR 122.A OH HIS 171.A NE2 no hydrogen 2.838 N/A TYR 122.A OH HIS 212.A NE2 no hydrogen 2.631 N/A GLU 127.A N GLU 127.A OE2 no hydrogen 2.664 N/A GLU 128.A N GLU 128.A OE2 no hydrogen 2.742 N/A LYS 129.A N LYS 126.A O no hydrogen 2.977 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 2.821 N/A MET 131.A N LEU 140.A O no hydrogen 2.949 N/A PHE 133.A N LEU 138.A O no hydrogen 2.722 N/A THR 136.A OG1 GLY 91.A O no hydrogen 3.116 N/A LEU 138.A N PHE 133.A O no hydrogen 3.322 N/A LYS 139.A N GLU 159.A O no hydrogen 2.992 N/A LEU 140.A N MET 131.A O no hydrogen 2.800 N/A THR 141.A N GLU 157.A O no hydrogen 2.878 N/A ILE 143.A N GLN 155.A O no hydrogen 2.842 N/A SER 144.A N GLN 155.A O no hydrogen 3.316 N/A SER 144.A OG GLN 155.A OE1 no hydrogen 2.550 N/A ASP 146.A N VAL 153.A O no hydrogen 2.886 N/A LYS 148.A N TYR 151.A O no hydrogen 2.762 N/A THR 152.A N HIS 173.A O no hydrogen 2.883 N/A VAL 153.A N ASP 146.A O no hydrogen 3.053 N/A ARG 154.A N HIS 171.A O no hydrogen 2.827 N/A ARG 154.A NE GLU 145.A OE1 no hydrogen 3.136 N/A GLN 155.A N SER 144.A O no hydrogen 2.997 N/A GLN 155.A NE2 GLU 168.A OE2 no hydrogen 2.685 N/A LEU 156.A N ILE 169.A O no hydrogen 2.884 N/A GLU 157.A N THR 141.A O no hydrogen 2.839 N/A LEU 158.A N ARG 167.A O no hydrogen 2.879 N/A GLU 159.A N LYS 139.A O no hydrogen 2.811 N/A ASN 160.A N GLU 165.A O no hydrogen 2.895 N/A LEU 161.A N ASN 137.A O no hydrogen 2.893 N/A THR 162.A N ASN 160.A OD1 no hydrogen 2.750 N/A THR 162.A OG1 ASN 137.A OD1 no hydrogen 3.207 N/A GLN 164.A N ASN 160.A O no hydrogen 2.690 N/A GLU 165.A N THR 163.A OG1 no hydrogen 3.161 N/A ARG 167.A N LEU 158.A O no hydrogen 2.888 N/A ARG 167.A NH1 TRP 98.A O no hydrogen 2.726 N/A ARG 167.A NH2 GLU 165.A OE2 no hydrogen 3.314 N/A ILE 169.A N LEU 156.A O no hydrogen 2.874 N/A LEU 170.A N ARG 103.A O no hydrogen 2.850 N/A HIS 171.A N ARG 154.A O no hydrogen 2.803 N/A HIS 171.A NE2 TYR 122.A OH no hydrogen 2.838 N/A PHE 172.A N VAL 105.A O no hydrogen 2.722 N/A HIS 173.A N THR 152.A O no hydrogen 2.883 N/A HIS 173.A NE2 ASN 109.A O no hydrogen 2.826 N/A TYR 174.A N MET 107.A O no hydrogen 2.957 N/A TYR 174.A OH SER 188.A OG no hydrogen 2.677 N/A THR 175.A N TYR 150.A O no hydrogen 3.106 N/A THR 176.A OG1 TYR 150.A O no hydrogen 3.521 N/A TRP 177.A NE1 GLY 181.A O no hydrogen 3.062 N/A ALA 187.A N SER 185.A OG no hydrogen 3.076 N/A SER 188.A OG TYR 174.A OH no hydrogen 2.677 N/A LEU 190.A N PRO 186.A O no hydrogen 2.855 N/A ASN 191.A N ALA 187.A O no hydrogen 2.923 N/A ASN 191.A ND2 ALA 187.A O no hydrogen 2.979 N/A PHE 192.A N SER 188.A O no hydrogen 2.951 N/A LEU 193.A N PHE 189.A O no hydrogen 2.859 N/A PHE 194.A N LEU 190.A O no hydrogen 2.891 N/A LYS 195.A N ASN 191.A O no hydrogen 2.796 N/A VAL 196.A N PHE 192.A O no hydrogen 2.964 N/A ARG 197.A N LEU 193.A O no hydrogen 2.838 N/A ARG 197.A NE ASP 227.A OD1 no hydrogen 2.873 N/A ARG 197.A NH2 ASP 227.A O no hydrogen 3.251 N/A ARG 197.A NH2 ASP 227.A OD1 no hydrogen 2.955 N/A GLU 198.A N PHE 194.A O no hydrogen 2.809 N/A SER 199.A N LYS 195.A O no hydrogen 3.099 N/A SER 199.A N VAL 196.A O no hydrogen 3.254 N/A SER 199.A OG VAL 196.A O no hydrogen 2.688 N/A SER 199.A OG SER 201.A OG no hydrogen 2.831 N/A GLY 200.A N ARG 197.A O no hydrogen 3.063 N/A SER 201.A N SER 199.A OG no hydrogen 3.083 N/A SER 201.A OG SER 199.A OG no hydrogen 2.831 N/A SER 203.A N GLY 200.A O no hydrogen 3.025 N/A SER 203.A OG GLU 205.A OE1 no hydrogen 3.208 N/A GLU 205.A N SER 203.A OG no hydrogen 3.154 N/A HIS 206.A N SER 203.A O no hydrogen 2.985 N/A HIS 206.A ND1 GLY 200.A O no hydrogen 3.133 N/A GLY 207.A N LYS 101.A O no hydrogen 2.854 N/A VAL 210.A N GLY 104.A O no hydrogen 3.055 N/A VAL 211.A N ILE 80.A O no hydrogen 2.692 N/A HIS 212.A N VAL 106.A O no hydrogen 2.885 N/A HIS 212.A ND1 CYS 213.A O no hydrogen 3.016 N/A HIS 212.A NE2 TYR 122.A OH no hydrogen 2.631 N/A CYS 213.A SG SER 220.A OG no hydrogen 3.111 N/A ARG 219.A NH1 LEU 108.A O no hydrogen 2.809 N/A THR 222.A N GLY 218.A O no hydrogen 2.956 N/A THR 222.A OG1 GLY 218.A O no hydrogen 3.290 N/A PHE 223.A N ARG 219.A O no hydrogen 3.094 N/A CYS 224.A N SER 220.A O no hydrogen 3.150 N/A CYS 224.A SG SER 220.A O no hydrogen 3.500 N/A LEU 225.A N GLY 221.A O no hydrogen 2.868 N/A ALA 226.A N THR 222.A O no hydrogen 2.961 N/A ASP 227.A N PHE 223.A O no hydrogen 2.965 N/A THR 228.A N CYS 224.A O no hydrogen 2.874 N/A THR 228.A OG1 TYR 79.A OH no hydrogen 2.788 N/A THR 228.A OG1 CYS 224.A O no hydrogen 3.308 N/A CYS 229.A N LEU 225.A O no hydrogen 2.966 N/A CYS 229.A SG LEU 225.A O no hydrogen 3.361 N/A LEU 230.A N ALA 226.A O no hydrogen 2.926 N/A LEU 231.A N ASP 227.A O no hydrogen 2.930 N/A LEU 232.A N THR 228.A O no hydrogen 2.998 N/A MET 233.A N CYS 229.A O no hydrogen 2.959 N/A ASP 234.A N LEU 230.A O no hydrogen 3.105 N/A LYS 235.A N LEU 232.A O no hydrogen 3.027 N/A LYS 235.A NZ ALA 75.A O no hydrogen 3.148 N/A ARG 236.A N LEU 232.A O no hydrogen 2.798 N/A ARG 236.A NE GLU 74.A OE2 no hydrogen 2.822 N/A ARG 236.A NH1 SER 241.A OG no hydrogen 2.901 N/A ARG 236.A NH2 GLU 74.A OE1 no hydrogen 2.666 N/A ARG 236.A NH2 GLU 74.A OE2 no hydrogen 3.365 N/A SER 241.A N ASP 238.A O no hydrogen 2.861 N/A SER 241.A OG ASP 238.A O no hydrogen 2.878 N/A VAL 242.A N PRO 239.A O no hydrogen 3.358 N/A LYS 245.A N ASP 243.A OD2 no hydrogen 2.924 N/A LYS 245.A NZ GLU 24.A OE2 no hydrogen 3.285 N/A LYS 246.A N ASP 243.A OD2 no hydrogen 3.387 N/A VAL 247.A N ASP 243.A O no hydrogen 2.967 N/A LEU 248.A N ILE 244.A O no hydrogen 2.915 N/A LEU 249.A N LYS 245.A O no hydrogen 2.963 N/A GLU 250.A N LYS 246.A O no hydrogen 3.018 N/A MET 251.A N VAL 247.A O no hydrogen 2.845 N/A ARG 252.A N LEU 248.A O no hydrogen 2.891 N/A ARG 252.A NE LEU 258.A O no hydrogen 2.839 N/A ARG 252.A NH2 LEU 258.A O no hydrogen 2.860 N/A ARG 252.A NH2 ILE 259.A O no hydrogen 2.999 N/A LYS 253.A N GLU 250.A O no hydrogen 3.043 N/A LYS 253.A NZ GLU 250.A OE1 no hydrogen 2.902 N/A PHE 254.A N MET 251.A O no hydrogen 2.911 N/A ARG 255.A N MET 251.A O no hydrogen 3.268 N/A ARG 255.A NE GLY 216.A O no hydrogen 3.072 N/A ARG 255.A NH1 ASN 66.A OD1 no hydrogen 3.114 N/A ARG 255.A NH1 SER 68.A OG no hydrogen 2.974 N/A ARG 255.A NH2 ASN 66.A OD1 no hydrogen 2.961 N/A ARG 255.A NH2 ALA 215.A O no hydrogen 2.917 N/A ILE 259.A N ILE 217.A O no hydrogen 2.672 N/A GLN 260.A N GLN 264.A OE1 no hydrogen 2.829 N/A GLN 264.A N THR 261.A OG1 no hydrogen 2.894 N/A LEU 265.A N THR 261.A O no hydrogen 2.965 N/A ARG 266.A N ALA 262.A O no hydrogen 2.934 N/A ARG 266.A NE ASP 9.A OD2 no hydrogen 3.021 N/A ARG 266.A NH2 ASP 9.A OD1 no hydrogen 2.867 N/A PHE 267.A N ASP 263.A O no hydrogen 2.959 N/A SER 268.A N GLN 264.A O no hydrogen 2.930 N/A SER 268.A OG GLN 264.A O no hydrogen 2.886 N/A TYR 269.A N LEU 265.A O no hydrogen 3.028 N/A LEU 270.A N ARG 266.A O no hydrogen 2.877 N/A ALA 271.A N PHE 267.A O no hydrogen 2.855 N/A VAL 272.A N SER 268.A O no hydrogen 3.038 N/A ILE 273.A N TYR 269.A O no hydrogen 2.902 N/A GLU 274.A N LEU 270.A O no hydrogen 2.812 N/A GLY 275.A N ALA 271.A O no hydrogen 2.772 N/A ALA 276.A N VAL 272.A O no hydrogen 2.787 N/A LYS 277.A N ILE 273.A O no hydrogen 3.268 N/A LYS 277.A NZ GLU 2.A OE1 no hydrogen 2.701 N/A LYS 277.A NZ GLU 2.A OE2 no hydrogen 3.212 N/A LYS 277.A NZ GLU 274.A OE1 no hydrogen 2.906 N/A PHE 278.A N GLU 274.A O no hydrogen 3.060 N/A ILE 279.A N GLY 275.A O no hydrogen 2.669 N/A MET 280.A N ALA 276.A O no hydrogen 2.499 N/A GLY 281.A N PHE 278.A O no hydrogen 3.290 N/A