Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qsg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N ASP 59.A OD1 no hydrogen 2.853 N/A LEU 2.A N ASP 25.A O no hydrogen 2.791 N/A GLY 3.A N VAL 60.A O no hydrogen 2.818 N/A PHE 4.A N ALA 26.A O no hydrogen 2.855 N/A ILE 5.A N PHE 62.A O no hydrogen 2.996 N/A GLY 6.A N TYR 28.A O no hydrogen 2.627 N/A PHE 7.A N ASP 29.A OD2 no hydrogen 2.837 N/A SER 12.A N GLY 8.A O no hydrogen 3.042 N/A SER 12.A OG GLY 8.A O no hydrogen 3.132 N/A SER 12.A OG GLU 9.A O no hydrogen 3.306 N/A ALA 13.A N GLU 9.A O no hydrogen 3.052 N/A ILE 14.A N ALA 10.A O no hydrogen 3.088 N/A ALA 15.A N ALA 11.A O no hydrogen 2.947 N/A SER 16.A N SER 12.A O no hydrogen 2.801 N/A GLY 17.A N ALA 13.A O no hydrogen 3.141 N/A LEU 18.A N ILE 14.A O no hydrogen 3.006 N/A ARG 19.A N ALA 15.A O no hydrogen 3.157 N/A GLN 20.A N SER 16.A O no hydrogen 3.345 N/A ALA 21.A N GLY 17.A O no hydrogen 2.989 N/A GLY 22.A N LEU 18.A O no hydrogen 3.241 N/A ALA 27.A N SER 46.A O no hydrogen 2.931 N/A TYR 28.A N PHE 4.A O no hydrogen 3.011 N/A ALA 31.A N ASP 29.A OD1 no hydrogen 2.830 N/A GLU 34.A N GLU 34.A OE1 no hydrogen 2.873 N/A SER 35.A N SER 32.A O no hydrogen 2.875 N/A TRP 36.A N ALA 33.A O no hydrogen 3.290 N/A TRP 36.A NE1 ALA 31.A O no hydrogen 3.101 N/A ARG 37.A N ALA 33.A O no hydrogen 2.932 N/A ARG 39.A NE SER 12.A OG no hydrogen 3.065 N/A ARG 39.A NH2 GLU 42.A OE2 no hydrogen 3.310 N/A ALA 40.A N TRP 36.A O no hydrogen 3.221 N/A GLU 41.A N ARG 37.A O no hydrogen 3.113 N/A GLU 42.A N PRO 38.A O no hydrogen 3.063 N/A LEU 43.A N ALA 40.A O no hydrogen 3.196 N/A GLY 44.A N GLU 41.A O no hydrogen 3.136 N/A VAL 45.A N ALA 40.A O no hydrogen 2.863 N/A CYS 47.A SG VAL 45.A O no hydrogen 4.017 N/A LYS 48.A N ALA 27.A O no hydrogen 2.674 N/A LYS 48.A NZ GLU 57.A OE1 no hydrogen 3.011 N/A ALA 49.A N GLU 53.A OE1 no hydrogen 2.750 N/A GLU 53.A N SER 50.A OG no hydrogen 2.979 N/A VAL 54.A N SER 50.A O no hydrogen 3.394 N/A ALA 55.A N VAL 51.A O no hydrogen 3.013 N/A GLY 56.A N ALA 52.A O no hydrogen 3.015 N/A GLU 57.A N GLU 53.A O no hydrogen 3.300 N/A GLU 57.A N VAL 54.A O no hydrogen 3.205 N/A CYS 58.A N VAL 54.A O no hydrogen 3.079 N/A CYS 58.A SG VAL 54.A O no hydrogen 3.383 N/A ASP 59.A N LYS 1.A O no hydrogen 3.020 N/A VAL 60.A N LYS 1.A O no hydrogen 3.294 N/A ILE 61.A N LEU 86.A O no hydrogen 2.833 N/A PHE 62.A N GLY 3.A O no hydrogen 2.765 N/A SER 63.A N ALA 88.A O no hydrogen 2.758 N/A LEU 64.A N ILE 5.A O no hydrogen 2.994 N/A ALA 69.A N THR 66.A O no hydrogen 3.129 N/A ALA 70.A N ALA 67.A O no hydrogen 3.327 N/A VAL 73.A N ALA 69.A O no hydrogen 2.969 N/A ALA 74.A N ALA 70.A O no hydrogen 3.188 N/A GLN 75.A N LEU 71.A O no hydrogen 2.978 N/A GLN 76.A N GLU 72.A O no hydrogen 2.992 N/A ALA 77.A N VAL 73.A O no hydrogen 2.917 N/A GLY 78.A N ALA 74.A O no hydrogen 2.806 N/A HIS 80.A N ALA 77.A O no hydrogen 2.869 N/A HIS 80.A ND1 GLN 76.A O no hydrogen 3.061 N/A LEU 81.A N ALA 77.A O no hydrogen 3.256 N/A LEU 81.A N GLY 78.A O no hydrogen 3.408 N/A CYS 82.A SG.A CYS 58.A O no hydrogen 3.766 N/A CYS 82.A SG.A GLU 83.A O no hydrogen 3.768 N/A CYS 82.A SG.B GLY 56.A O no hydrogen 3.386 N/A CYS 82.A SG.B CYS 58.A O no hydrogen 3.968 N/A GLY 84.A N SER 111.A OG no hydrogen 2.743 N/A ALA 85.A N CYS 82.A O.A no hydrogen 3.345 N/A ALA 85.A N CYS 82.A O.B no hydrogen 3.283 N/A LEU 86.A N ASP 59.A O no hydrogen 2.945 N/A TYR 87.A N GLN 113.A O no hydrogen 2.856 N/A ALA 88.A N ILE 61.A O no hydrogen 2.735 N/A ASP 89.A N ALA 115.A O no hydrogen 2.876 N/A PHE 90.A N SER 63.A O no hydrogen 2.856 N/A THR 91.A N ASP 89.A OD2 no hydrogen 3.001 N/A THR 91.A OG1 ASP 89.A OD2 no hydrogen 2.740 N/A SER 92.A OG GLU 231.A OE1 no hydrogen 2.656 N/A SER 92.A OG GLU 231.A OE2 no hydrogen 3.488 N/A CYS 93.A SG THR 91.A OG1 no hydrogen 3.251 N/A CYS 93.A SG SER 94.A O no hydrogen 3.809 N/A VAL 97.A N SER 94.A OG no hydrogen 3.267 N/A LYS 98.A N SER 94.A O no hydrogen 2.944 N/A LYS 98.A NZ ASP 89.A O no hydrogen 2.870 N/A LYS 98.A NZ ASP 89.A OD2 no hydrogen 2.883 N/A LYS 98.A NZ THR 91.A O no hydrogen 2.798 N/A LYS 98.A NZ VAL 117.A O no hydrogen 2.980 N/A ARG 99.A N PRO 95.A O no hydrogen 3.019 N/A ARG 99.A NH1 VAL 159.A O no hydrogen 3.073 N/A ALA 100.A N ALA 96.A O no hydrogen 2.933 N/A ILE 101.A N VAL 97.A O no hydrogen 2.841 N/A GLY 102.A N LYS 98.A O no hydrogen 3.064 N/A ASP 103.A N ARG 99.A O no hydrogen 3.058 N/A VAL 104.A N ALA 100.A O no hydrogen 2.945 N/A ILE 105.A N ILE 101.A O no hydrogen 3.026 N/A SER 106.A N GLY 102.A O no hydrogen 2.964 N/A ARG 107.A N ASP 103.A O no hydrogen 2.989 N/A HIS 108.A N VAL 104.A O no hydrogen 3.137 N/A ARG 109.A N ILE 105.A O no hydrogen 2.836 N/A ARG 109.A NE LEU 81.A O no hydrogen 2.866 N/A SER 111.A OG GLU 83.A OE1 no hydrogen 2.981 N/A ALA 112.A N ARG 109.A O no hydrogen 2.894 N/A GLN 113.A N ALA 85.A O no hydrogen 2.850 N/A GLN 113.A NE2 ASP 136.A O no hydrogen 3.633 N/A TYR 114.A N ASP 136.A OD1 no hydrogen 2.902 N/A TYR 114.A OH LYS 98.A O no hydrogen 2.840 N/A ALA 115.A N TYR 87.A O no hydrogen 2.900 N/A ALA 116.A N ASP 134.A O no hydrogen 2.830 N/A VAL 117.A N ASP 89.A O no hydrogen 2.832 N/A ALA 118.A N VAL 132.A O no hydrogen 2.757 N/A HIS 125.A N VAL 122.A O no hydrogen 2.787 N/A GLY 126.A N VAL 122.A O no hydrogen 2.915 N/A ARG 128.A N HIS 125.A O no hydrogen 3.142 N/A ARG 128.A NE GLY 149.A O no hydrogen 2.638 N/A ARG 128.A NH2 GLY 149.A O no hydrogen 3.454 N/A VAL 129.A N GLY 126.A O no hydrogen 3.301 N/A LEU 131.A N ARG 151.A O no hydrogen 2.895 N/A VAL 132.A N ALA 118.A O no hydrogen 3.080 N/A VAL 133.A N GLU 153.A O no hydrogen 2.864 N/A ASP 134.A N ALA 116.A O no hydrogen 3.217 N/A GLY 137.A N TYR 114.A O no hydrogen 2.705 N/A ALA 138.A N GLY 135.A O no hydrogen 3.083 N/A ARG 140.A NH1 GLY 84.A O no hydrogen 2.899 N/A ARG 140.A NH1 GLN 113.A OE1 no hydrogen 2.701 N/A ARG 140.A NH2 GLY 84.A O no hydrogen 2.922 N/A PHE 141.A N GLY 137.A O no hydrogen 2.862 N/A GLN 142.A N ALA 138.A O no hydrogen 2.864 N/A GLN 142.A NE2 ILE 152.A O no hydrogen 2.820 N/A ALA 143.A N ARG 139.A O no hydrogen 2.788 N/A ALA 144.A N ARG 140.A O no hydrogen 2.903 N/A PHE 145.A N PHE 141.A O no hydrogen 3.014 N/A THR 146.A N GLN 142.A O no hydrogen 2.974 N/A THR 146.A OG1 GLN 142.A O no hydrogen 2.688 N/A TYR 148.A N PHE 145.A O no hydrogen 3.051 N/A TYR 148.A OH ALA 23.A O no hydrogen 3.425 N/A GLY 149.A N THR 146.A O no hydrogen 3.048 N/A CYS 150.A N PHE 145.A O no hydrogen 3.196 N/A CYS 150.A SG HIS 127.A O no hydrogen 3.477 N/A ARG 151.A NH1 ARG 128.A O no hydrogen 2.893 N/A GLU 153.A N LEU 131.A O no hydrogen 2.918 N/A LEU 155.A N VAL 133.A O no hydrogen 2.797 N/A GLY 160.A N ASP 134.A OD1 no hydrogen 3.103 N/A GLY 161.A N GLU 158.A O no hydrogen 3.273 N/A ALA 162.A N ASP 134.A OD2 no hydrogen 2.798 N/A LEU 164.A N GLY 160.A O no hydrogen 2.953 N/A LEU 165.A N GLY 161.A O no hydrogen 2.919 N/A LYS 166.A N ALA 162.A O no hydrogen 2.981 N/A LYS 166.A NZ VAL 119.A O no hydrogen 2.735 N/A CYS 167.A SG LEU 164.A O no hydrogen 3.392 N/A ARG 168.A N LEU 165.A O no hydrogen 3.008 N/A SER 169.A N LYS 166.A O no hydrogen 2.937 N/A SER 169.A OG LYS 166.A O no hydrogen 3.009 N/A VAL 171.A N CYS 167.A O no hydrogen 3.193 N/A LEU 172.A N ARG 168.A O no hydrogen 3.007 N/A LYS 173.A N SER 169.A O no hydrogen 2.881 N/A GLY 174.A N ALA 170.A O no hydrogen 2.836 N/A LEU 175.A N VAL 171.A O no hydrogen 2.772 N/A GLU 176.A N LEU 172.A O no hydrogen 3.114 N/A ALA 177.A N LYS 173.A O no hydrogen 2.985 N/A LEU 178.A N GLY 174.A O no hydrogen 2.887 N/A PHE 179.A N LEU 175.A O no hydrogen 2.930 N/A LEU 180.A N GLU 176.A O no hydrogen 3.032 N/A GLU 181.A N ALA 177.A O no hydrogen 2.992 N/A ALA 182.A N LEU 178.A O no hydrogen 2.861 N/A LEU 183.A N PHE 179.A O no hydrogen 2.752 N/A ALA 184.A N LEU 180.A O no hydrogen 3.081 N/A ALA 185.A N GLU 181.A O no hydrogen 3.201 N/A ALA 186.A N ALA 182.A O no hydrogen 2.986 N/A GLU 187.A N LEU 183.A O no hydrogen 3.015 N/A LYS 188.A N ALA 185.A O no hydrogen 3.088 N/A LYS 188.A NZ ALA 278.A O no hydrogen 2.593 N/A LEU 190.A N ALA 186.A O no hydrogen 2.948 N/A ALA 191.A N GLU 187.A OE1 no hydrogen 2.846 N/A ARG 193.A NH2 ARG 193.A O no hydrogen 2.877 N/A VAL 194.A N LEU 190.A O no hydrogen 2.850 N/A LEU 195.A N ALA 191.A O no hydrogen 2.945 N/A ALA 196.A N ASP 192.A O no hydrogen 2.896 N/A SER 197.A N ARG 193.A O no hydrogen 2.920 N/A LEU 198.A N VAL 194.A O no hydrogen 2.949 N/A ASP 199.A N LEU 195.A O no hydrogen 2.979 N/A ALA 200.A N ALA 196.A O no hydrogen 2.946 N/A SER 201.A N SER 197.A O no hydrogen 3.270 N/A SER 201.A N LEU 198.A O no hydrogen 3.247 N/A SER 201.A OG SER 197.A O no hydrogen 3.507 N/A PHE 202.A N LEU 198.A O no hydrogen 2.923 N/A GLU 204.A N.A GLU 204.A OE1.A no hydrogen 3.171 N/A HIS 205.A N PHE 202.A O no hydrogen 3.138 N/A HIS 206.A N PRO 203.A O no hydrogen 3.412 N/A ARG 208.A N ASP 199.A OD1 no hydrogen 3.138 N/A LEU 210.A N HIS 206.A O no hydrogen 2.975 N/A ALA 211.A N LEU 207.A O no hydrogen 2.830 N/A LEU 212.A N ARG 208.A O no hydrogen 2.899 N/A TYR 213.A N ASP 209.A O no hydrogen 3.040 N/A LEU 214.A N LEU 210.A O no hydrogen 2.986 N/A VAL 215.A N ALA 211.A O no hydrogen 2.961 N/A GLU 216.A N LEU 212.A O no hydrogen 3.112 N/A ARG 217.A N TYR 213.A O no hydrogen 2.991 N/A ASN 218.A N LEU 214.A O no hydrogen 3.096 N/A ASN 218.A ND2 GLU 176.A OE2 no hydrogen 2.847 N/A LEU 219.A N VAL 215.A O no hydrogen 2.933 N/A GLU 220.A N ARG 217.A O no hydrogen 2.883 N/A ALA 222.A N GLU 220.A O no hydrogen 2.981 N/A ARG 225.A NE HIS 221.A O no hydrogen 2.779 N/A ARG 225.A NH1 HIS 221.A O no hydrogen 2.892 N/A ALA 226.A N ALA 222.A O no hydrogen 3.333 N/A HIS 227.A N ASP 223.A O no hydrogen 3.237 N/A HIS 227.A NE2 GLU 231.A OE2 no hydrogen 2.987 N/A GLU 228.A N ARG 224.A O no hydrogen 2.918 N/A LEU 229.A N ARG 225.A O no hydrogen 3.145 N/A GLY 230.A N ALA 226.A O no hydrogen 3.213 N/A GLU 231.A N HIS 227.A O no hydrogen 3.087 N/A VAL 232.A N GLU 228.A O no hydrogen 2.934 N/A ALA 233.A N LEU 229.A O no hydrogen 2.898 N/A ALA 234.A N GLY 230.A O no hydrogen 3.265 N/A THR 235.A N GLU 231.A O no hydrogen 3.043 N/A LEU 236.A N VAL 232.A O no hydrogen 2.909 N/A CYS 237.A N ALA 233.A O no hydrogen 3.013 N/A SER 238.A N ALA 234.A O no hydrogen 2.937 N/A SER 238.A OG THR 235.A O no hydrogen 2.602 N/A VAL 239.A N THR 235.A O no hydrogen 3.164 N/A VAL 239.A N LEU 236.A O no hydrogen 3.212 N/A GLY 240.A N CYS 237.A O no hydrogen 3.029 N/A VAL 241.A N LEU 236.A O no hydrogen 2.994 N/A LEU 244.A N GLU 242.A O no hydrogen 2.792 N/A GLU 247.A N PRO 243.A O no hydrogen 2.679 N/A ALA 248.A N LEU 244.A O no hydrogen 3.241 N/A GLY 249.A N VAL 245.A O no hydrogen 2.897 N/A TYR 250.A N ALA 246.A O no hydrogen 2.920 N/A ARG 251.A N GLU 247.A O no hydrogen 2.890 N/A ARG 252.A N ALA 248.A O no hydrogen 2.818 N/A ARG 252.A NE GLU 181.A OE1 no hydrogen 2.920 N/A ARG 252.A NH2 GLU 181.A OE1 no hydrogen 2.952 N/A LEU 253.A N GLY 249.A O no hydrogen 2.800 N/A THR 254.A N TYR 250.A O no hydrogen 2.981 N/A THR 254.A OG1 TYR 250.A O no hydrogen 2.792 N/A ARG 255.A N ARG 251.A O no hydrogen 2.939 N/A VAL 256.A N ARG 252.A O no hydrogen 2.905 N/A ALA 257.A N LEU 253.A O no hydrogen 2.893 N/A GLN 258.A N THR 254.A O no hydrogen 3.119 N/A VAL 259.A N ARG 255.A O no hydrogen 3.049 N/A ARG 260.A N VAL 256.A O no hydrogen 2.965 N/A ALA 261.A N ALA 257.A O no hydrogen 2.791 N/A ALA 262.A N GLN 258.A O no hydrogen 3.001 N/A LEU 263.A N ARG 260.A O no hydrogen 3.335 N/A LYS 264.A NZ ALA 262.A O no hydrogen 3.435 N/A GLN 265.A NE2 LYS 264.A O no hydrogen 3.516 N/A ARG 271.A NH1 ASP 192.A OD1 no hydrogen 2.941 N/A ALA 272.A N ASP 269.A OD1 no hydrogen 2.893 N/A TRP 273.A N ASP 269.A O no hydrogen 2.850 N/A TRP 273.A NE1 ASN 218.A OD1 no hydrogen 2.995 N/A LEU 274.A N VAL 270.A O no hydrogen 2.927 N/A ARG 275.A N ARG 271.A O no hydrogen 3.069 N/A ARG 275.A NE GLU 187.A OE2 no hydrogen 2.888 N/A ARG 275.A NH2 GLU 187.A OE2 no hydrogen 2.879 N/A SER 276.A N ALA 272.A O no hydrogen 2.772 N/A SER 276.A OG ALA 272.A O no hydrogen 2.991 N/A LEU 277.A N TRP 273.A O no hydrogen 2.961 N/A ALA 278.A N LEU 274.A O no hydrogen 2.948 N/A ASN 279.A N ARG 275.A O no hydrogen 2.850 N/A ALA 280.A N LEU 277.A O no hydrogen 3.256 N/A