Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1a8s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N TYR 13.A O no hydrogen 2.917 N/A PHE 3.A N ILE 11.A O no hydrogen 2.950 N/A THR 5.A N THR 9.A O no hydrogen 2.923 N/A THR 5.A OG1 ASP 7.A OD1 no hydrogen 2.667 N/A THR 5.A OG1 THR 9.A O no hydrogen 3.464 N/A ARG 6.A N GLN 78.A OE1 no hydrogen 2.776 N/A GLY 8.A N THR 5.A O no hydrogen 2.882 N/A THR 9.A N ASP 7.A OD1 no hydrogen 3.112 N/A THR 9.A OG1 ASP 7.A OD1 no hydrogen 2.556 N/A GLN 10.A N SER 61.A OG no hydrogen 2.864 N/A ILE 11.A N PHE 3.A O no hydrogen 2.720 N/A TYR 12.A N SER 60.A OG no hydrogen 3.013 N/A TYR 13.A N THR 1.A O no hydrogen 2.783 N/A LYS 14.A N ALA 51.A O no hydrogen 2.875 N/A LYS 14.A NZ ASP 33.A OD1 no hydrogen 2.843 N/A TRP 16.A N VAL 49.A O no hydrogen 2.896 N/A GLN 20.A NE2 ASP 87.A O no hydrogen 2.776 N/A ILE 22.A N ARG 48.A O no hydrogen 2.807 N/A VAL 23.A N VAL 89.A O no hydrogen 2.721 N/A PHE 24.A N ILE 50.A O no hydrogen 2.803 N/A SER 25.A N PHE 91.A O no hydrogen 2.738 N/A SER 25.A OG GLY 96.A O no hydrogen 3.311 N/A SER 25.A OG GLU 99.A OE2 no hydrogen 2.487 N/A HIS 26.A ND1 GLY 27.A O no hydrogen 2.801 N/A TRP 28.A NE1 ALA 193.A O no hydrogen 2.815 N/A LEU 30.A N GLY 27.A O no hydrogen 2.926 N/A ASN 31.A N GLN 184.A OE1 no hydrogen 3.140 N/A ALA 32.A N ASP 53.A OD1 no hydrogen 2.864 N/A ASP 33.A N ASN 31.A OD1 no hydrogen 2.955 N/A SER 34.A N ASN 31.A O no hydrogen 3.042 N/A SER 34.A OG ASN 31.A O no hydrogen 2.771 N/A TRP 35.A N ALA 32.A O no hydrogen 3.007 N/A TRP 35.A NE1 SER 25.A O no hydrogen 3.047 N/A GLU 36.A N ASP 33.A O no hydrogen 3.079 N/A GLN 38.A NE2 THR 256.A O no hydrogen 3.101 N/A GLN 38.A NE2 ASN 264.A OD1 no hydrogen 3.120 N/A MET 39.A N TRP 35.A O no hydrogen 3.049 N/A ILE 40.A N GLU 36.A O no hydrogen 2.898 N/A PHE 41.A N SER 37.A O no hydrogen 3.281 N/A LEU 42.A N GLN 38.A O no hydrogen 2.997 N/A ALA 43.A N MET 39.A O no hydrogen 2.902 N/A ALA 44.A N ILE 40.A O no hydrogen 3.102 N/A GLN 45.A N LEU 42.A O no hydrogen 2.956 N/A GLY 46.A N ALA 43.A O no hydrogen 3.110 N/A TYR 47.A N LEU 42.A O no hydrogen 3.197 N/A ARG 48.A N GLN 20.A O no hydrogen 3.013 N/A ARG 48.A NE ASP 15.A OD1 no hydrogen 2.804 N/A ARG 48.A NH2 ASP 15.A OD2 no hydrogen 2.951 N/A VAL 49.A N TRP 16.A O no hydrogen 2.816 N/A ILE 50.A N ILE 22.A O no hydrogen 2.823 N/A ALA 51.A N LYS 14.A O no hydrogen 2.981 N/A HIS 52.A N HIS 52.A ND1 no hydrogen 2.867 N/A ASP 53.A N TYR 12.A O no hydrogen 2.662 N/A ARG 54.A N HIS 26.A NE2 no hydrogen 2.967 N/A ARG 54.A NE GLU 99.A OE1 no hydrogen 2.878 N/A ARG 54.A NH1 HIS 26.A O no hydrogen 2.801 N/A ARG 54.A NH2 HIS 26.A O no hydrogen 2.838 N/A ARG 54.A NH2 GLU 99.A OE1 no hydrogen 3.165 N/A ARG 55.A NE ASP 75.A OD2 no hydrogen 2.859 N/A ARG 55.A NH1 SER 65.A O no hydrogen 3.102 N/A ARG 55.A NH2 ASP 7.A OD1 no hydrogen 3.481 N/A ARG 55.A NH2 ASP 7.A OD2 no hydrogen 3.011 N/A ARG 55.A NH2 ASP 75.A OD1 no hydrogen 3.026 N/A ARG 55.A NH2 ASP 75.A OD2 no hydrogen 3.292 N/A GLY 56.A N SER 61.A O no hydrogen 2.954 N/A HIS 57.A N ARG 54.A O no hydrogen 2.894 N/A HIS 57.A ND1 ARG 55.A O no hydrogen 2.799 N/A ARG 59.A N ASP 53.A OD2 no hydrogen 2.683 N/A ARG 59.A NE ASP 53.A OD2 no hydrogen 2.844 N/A ARG 59.A NH1 ASP 33.A OD1 no hydrogen 2.789 N/A ARG 59.A NH2 ASP 33.A OD1 no hydrogen 3.042 N/A ARG 59.A NH2 ASP 53.A OD1 no hydrogen 3.025 N/A ARG 59.A NH2 ASP 53.A OD2 no hydrogen 2.812 N/A SER 60.A N HIS 57.A O no hydrogen 3.050 N/A SER 60.A OG ASP 53.A O no hydrogen 2.661 N/A SER 61.A N GLN 10.A O no hydrogen 2.918 N/A SER 61.A OG GLN 10.A O no hydrogen 3.552 N/A ASN 67.A ND2 PRO 63.A O no hydrogen 3.203 N/A THR 71.A N ASP 68.A OD1 no hydrogen 2.965 N/A THR 71.A OG1 ASP 68.A OD1 no hydrogen 2.805 N/A TYR 72.A N ASP 68.A O no hydrogen 2.956 N/A ALA 73.A N MET 69.A O no hydrogen 2.860 N/A ASP 74.A N ASP 70.A O no hydrogen 3.011 N/A ASP 75.A N THR 71.A O no hydrogen 2.842 N/A LEU 76.A N TYR 72.A O no hydrogen 3.062 N/A ALA 77.A N ALA 73.A O no hydrogen 2.895 N/A GLN 78.A N ASP 74.A O no hydrogen 2.994 N/A GLN 78.A NE2 ASP 74.A O no hydrogen 3.622 N/A LEU 79.A N ASP 75.A O no hydrogen 3.034 N/A ILE 80.A N LEU 76.A O no hydrogen 2.996 N/A GLU 81.A N ALA 77.A O no hydrogen 2.913 N/A HIS 82.A N GLN 78.A O no hydrogen 2.816 N/A LEU 83.A N LEU 79.A O no hydrogen 2.888 N/A ASP 84.A N GLU 81.A O no hydrogen 2.944 N/A LEU 85.A N ILE 80.A O no hydrogen 3.046 N/A ARG 86.A NE ASP 84.A OD1 no hydrogen 2.804 N/A ARG 86.A NH2 ASP 84.A OD1 no hydrogen 3.438 N/A ARG 86.A NH2 ASP 84.A OD2 no hydrogen 2.923 N/A ALA 88.A N ARG 111.A O no hydrogen 2.930 N/A VAL 89.A N PRO 21.A O no hydrogen 2.942 N/A LEU 90.A N LYS 114.A O no hydrogen 3.017 N/A PHE 91.A N VAL 23.A O no hydrogen 2.785 N/A GLY 92.A N GLY 116.A O no hydrogen 2.971 N/A PHE 93.A N SER 25.A O no hydrogen 2.990 N/A SER 94.A N ILE 118.A O no hydrogen 2.979 N/A SER 94.A OG SER 119.A O no hydrogen 3.477 N/A SER 94.A OG HIS 253.A NE2 no hydrogen 2.809 N/A GLY 96.A N PHE 93.A O no hydrogen 2.738 N/A GLY 97.A N SER 94.A O no hydrogen 2.904 N/A GLU 99.A N THR 95.A O no hydrogen 3.097 N/A VAL 100.A N GLY 96.A O no hydrogen 2.959 N/A ALA 101.A N GLY 97.A O no hydrogen 3.024 N/A ARG 102.A N GLY 98.A O no hydrogen 2.862 N/A ARG 102.A NE ASP 208.A OD1 no hydrogen 3.265 N/A ARG 102.A NE ASP 208.A OD2 no hydrogen 2.581 N/A ARG 102.A NH1 ASP 70.A OD1 no hydrogen 2.939 N/A ARG 102.A NH2 ASP 208.A OD2 no hydrogen 3.087 N/A TYR 103.A N GLU 99.A O no hydrogen 2.884 N/A ILE 104.A N VAL 100.A O no hydrogen 3.042 N/A GLY 105.A N ALA 101.A O no hydrogen 2.849 N/A ARG 106.A N ARG 102.A O no hydrogen 2.913 N/A ARG 106.A NE ASP 74.A OD1 no hydrogen 2.977 N/A ARG 106.A NH2 ASP 74.A OD2 no hydrogen 2.850 N/A HIS 107.A N TYR 103.A O no hydrogen 2.777 N/A HIS 107.A NE2 ASP 74.A OD1 no hydrogen 2.668 N/A GLY 108.A N ILE 104.A O no hydrogen 2.674 N/A THR 109.A OG1 ASP 213.A OD1 no hydrogen 2.537 N/A THR 109.A OG1 ASP 213.A OD2 no hydrogen 3.454 N/A ARG 111.A NH1 ASP 84.A OD1 no hydrogen 2.866 N/A ARG 111.A NH1 LEU 85.A O no hydrogen 2.775 N/A VAL 112.A N THR 109.A O no hydrogen 2.971 N/A ALA 113.A N ALA 88.A O no hydrogen 2.755 N/A LYS 114.A N ALA 88.A O no hydrogen 3.425 N/A LYS 114.A NZ PHE 270.A O no hydrogen 2.925 N/A LYS 114.A NZ ILE 271.A O no hydrogen 2.906 N/A LYS 114.A NZ GLY 273.A O no hydrogen 2.402 N/A ALA 115.A N PRO 215.A O no hydrogen 3.007 N/A GLY 116.A N LEU 90.A O no hydrogen 2.770 N/A LEU 117.A N LEU 217.A O no hydrogen 2.785 N/A ILE 118.A N GLY 92.A O no hydrogen 2.968 N/A SER 119.A N VAL 219.A O no hydrogen 2.762 N/A SER 119.A OG HIS 253.A O no hydrogen 3.117 N/A VAL 121.A N SER 94.A O no hydrogen 3.171 N/A LYS 127.A N LEU 135.A O no hydrogen 2.724 N/A THR 128.A N ASN 131.A O no hydrogen 3.090 N/A ASN 131.A N THR 128.A OG1 no hydrogen 3.016 N/A ASN 131.A ND2 LEU 124.A O no hydrogen 2.865 N/A ASN 131.A ND2 LEU 126.A O no hydrogen 2.755 N/A GLY 134.A N ASN 131.A O no hydrogen 3.122 N/A LEU 135.A N MET 125.A O no hydrogen 2.764 N/A VAL 139.A N PRO 136.A O no hydrogen 2.977 N/A ASP 141.A N MET 137.A O no hydrogen 2.862 N/A GLY 142.A N GLU 138.A O no hydrogen 2.933 N/A ILE 143.A N VAL 139.A O no hydrogen 3.196 N/A ARG 144.A N PHE 140.A O no hydrogen 2.960 N/A ARG 144.A NH2 ASP 141.A OD1 no hydrogen 2.951 N/A GLN 145.A N ASP 141.A O no hydrogen 2.797 N/A ALA 146.A N GLY 142.A O no hydrogen 2.929 N/A SER 147.A N ILE 143.A O no hydrogen 2.939 N/A SER 147.A OG ILE 143.A O no hydrogen 2.866 N/A LEU 148.A N ARG 144.A O no hydrogen 2.837 N/A ALA 149.A N GLN 145.A O no hydrogen 2.938 N/A ASP 150.A N ALA 146.A O no hydrogen 2.859 N/A ARG 151.A NH1 TYR 155.A OH no hydrogen 3.055 N/A ARG 151.A NH1 GLY 185.A O no hydrogen 3.007 N/A ARG 151.A NH1 ALA 188.A O no hydrogen 3.370 N/A ARG 151.A NH2 ALA 188.A O no hydrogen 3.016 N/A GLN 153.A N ASP 150.A OD1 no hydrogen 2.970 N/A GLN 153.A NE2 ASP 157.A OD1 no hydrogen 3.048 N/A LEU 154.A N ASP 150.A O no hydrogen 2.981 N/A TYR 155.A N ARG 151.A O no hydrogen 2.931 N/A LYS 156.A N SER 152.A O no hydrogen 3.162 N/A LYS 156.A NZ ASP 179.A OD1 no hydrogen 2.776 N/A ASP 157.A N GLN 153.A O no hydrogen 2.759 N/A LEU 158.A N LEU 154.A O no hydrogen 2.776 N/A ALA 159.A N TYR 155.A O no hydrogen 3.047 N/A SER 160.A N LYS 156.A O no hydrogen 2.889 N/A SER 160.A OG LYS 156.A O no hydrogen 2.748 N/A GLY 161.A N ASP 157.A O no hydrogen 2.889 N/A GLY 161.A N LEU 158.A O no hydrogen 3.302 N/A PHE 163.A N LEU 158.A O no hydrogen 2.912 N/A GLY 165.A N PRO 162.A O no hydrogen 3.327 N/A ASN 167.A N GLY 161.A O no hydrogen 3.229 N/A ASN 167.A ND2 GLN 225.A OE1 no hydrogen 3.029 N/A GLN 168.A N GLY 165.A O no hydrogen 3.052 N/A ALA 171.A N GLN 168.A O no hydrogen 2.997 N/A VAL 178.A N SER 174.A O no hydrogen 3.146 N/A ASP 179.A N ALA 175.A O no hydrogen 2.886 N/A TRP 180.A N GLY 176.A O no hydrogen 3.081 N/A PHE 181.A N MET 177.A O no hydrogen 3.298 N/A TRP 182.A N VAL 178.A O no hydrogen 2.949 N/A TRP 182.A NE1 SER 152.A OG no hydrogen 2.807 N/A LEU 183.A N ASP 179.A O no hydrogen 2.836 N/A GLN 184.A N TRP 180.A O no hydrogen 3.141 N/A GLN 184.A NE2 TRP 180.A O no hydrogen 3.279 N/A GLY 185.A N PHE 181.A O no hydrogen 3.075 N/A MET 186.A N TRP 182.A O no hydrogen 2.905 N/A ALA 187.A N GLN 184.A O no hydrogen 3.050 N/A ALA 188.A N GLY 185.A O no hydrogen 3.156 N/A GLY 189.A N GLY 56.A O no hydrogen 2.720 N/A LYS 191.A NZ TRP 64.A O no hydrogen 2.884 N/A LYS 191.A NZ ASP 195.A OD2 no hydrogen 2.827 N/A ASN 192.A ND2 PRO 63.A O no hydrogen 2.729 N/A ASN 192.A ND2 ASN 67.A OD1 no hydrogen 2.807 N/A ALA 193.A N GLY 189.A O no hydrogen 2.875 N/A TYR 194.A N HIS 190.A O no hydrogen 2.932 N/A ASP 195.A N LYS 191.A O no hydrogen 2.922 N/A CYS 196.A N ASN 192.A O no hydrogen 2.957 N/A CYS 196.A SG TYR 72.A OH no hydrogen 3.479 N/A ILE 197.A N TYR 194.A O no hydrogen 3.173 N/A ALA 199.A N ASP 195.A O no hydrogen 3.350 N/A PHE 200.A N CYS 196.A O no hydrogen 2.807 N/A SER 201.A N ILE 197.A O no hydrogen 3.080 N/A SER 201.A OG ILE 197.A O no hydrogen 2.678 N/A GLU 202.A N LYS 198.A O no hydrogen 2.924 N/A THR 203.A OG1 ALA 199.A O no hydrogen 2.597 N/A PHE 205.A N PRO 123.A O no hydrogen 2.804 N/A THR 206.A N ASP 204.A OD1 no hydrogen 2.898 N/A THR 206.A OG1 ASP 204.A OD1 no hydrogen 2.589 N/A LEU 209.A N PHE 205.A O no hydrogen 2.876 N/A LYS 210.A N THR 206.A O no hydrogen 3.169 N/A LYS 210.A NZ GLU 207.A OE2 no hydrogen 3.101 N/A LYS 211.A N ASP 208.A O no hydrogen 2.993 N/A LYS 211.A NZ GLY 105.A O no hydrogen 3.424 N/A ILE 212.A N LEU 209.A O no hydrogen 3.248 N/A THR 216.A OG1 VAL 214.A O no hydrogen 2.970 N/A LEU 217.A N ALA 115.A O no hydrogen 2.928 N/A VAL 218.A N THR 244.A O no hydrogen 2.717 N/A VAL 219.A N LEU 117.A O no hydrogen 2.946 N/A HIS 220.A N LYS 246.A O no hydrogen 3.086 N/A HIS 220.A NE2 VAL 227.A O no hydrogen 2.970 N/A ASP 222.A N TYR 248.A O no hydrogen 3.197 N/A ALA 223.A N ALA 251.A O no hydrogen 3.035 N/A ASP 224.A N GLY 221.A O no hydrogen 3.260 N/A GLN 225.A NE2 ASN 167.A OD1 no hydrogen 2.845 N/A VAL 226.A N ASP 224.A OD1 no hydrogen 2.852 N/A VAL 227.A N ASP 224.A OD1 no hydrogen 2.732 N/A SER 232.A N ILE 229.A O no hydrogen 3.038 N/A SER 232.A OG PRO 228.A O no hydrogen 2.775 N/A SER 232.A OG ILE 229.A O no hydrogen 3.508 N/A GLY 233.A N SER 232.A OG no hydrogen 2.676 N/A ILE 234.A N ILE 229.A O no hydrogen 3.129 N/A SER 236.A N SER 232.A O no hydrogen 2.747 N/A SER 236.A OG PRO 122.A O no hydrogen 2.925 N/A SER 236.A OG SER 232.A O no hydrogen 3.426 N/A ALA 237.A N GLY 233.A O no hydrogen 3.017 N/A ALA 238.A N ILE 234.A O no hydrogen 2.961 N/A LEU 239.A N ALA 235.A O no hydrogen 3.018 N/A VAL 240.A N SER 236.A O no hydrogen 2.855 N/A SER 243.A N VAL 240.A O no hydrogen 3.135 N/A SER 243.A OG ALA 237.A O no hydrogen 2.729 N/A SER 243.A OG VAL 240.A O no hydrogen 3.154 N/A THR 244.A N THR 216.A O no hydrogen 2.895 N/A LYS 246.A N VAL 218.A O no hydrogen 2.941 N/A LYS 246.A NZ ASP 266.A OD1 no hydrogen 2.863 N/A TYR 248.A N HIS 220.A O no hydrogen 2.915 N/A TYR 248.A OH ASP 266.A OD2 no hydrogen 2.621 N/A GLY 250.A N ASP 222.A OD1 no hydrogen 2.665 N/A ALA 251.A N TYR 248.A O no hydrogen 3.179 N/A HIS 253.A ND1 ASP 224.A OD2 no hydrogen 2.685 N/A GLY 254.A N PHE 163.A O no hydrogen 2.883 N/A LEU 255.A N HIS 253.A O no hydrogen 2.834 N/A THR 256.A OG1 ASP 257.A OD2 no hydrogen 2.924 N/A ASP 257.A N GLY 254.A O no hydrogen 3.025 N/A THR 258.A N GLY 254.A O no hydrogen 3.127 N/A THR 258.A OG1 GLY 254.A O no hydrogen 3.435 N/A THR 258.A OG1 HIS 259.A ND1 no hydrogen 2.790 N/A HIS 259.A N LEU 255.A O no hydrogen 2.960 N/A HIS 259.A ND1 THR 258.A OG1 no hydrogen 2.790 N/A LYS 260.A NZ SER 37.A OG no hydrogen 2.757 N/A LEU 263.A N HIS 259.A O no hydrogen 2.866 N/A ASN 264.A N LYS 260.A O no hydrogen 2.881 N/A ALA 265.A N ASP 261.A O no hydrogen 3.096 N/A ASP 266.A N GLN 262.A O no hydrogen 2.920 N/A LEU 267.A N LEU 263.A O no hydrogen 2.828 N/A LEU 268.A N ASN 264.A O no hydrogen 3.018 N/A ALA 269.A N ALA 265.A O no hydrogen 2.926 N/A PHE 270.A N ASP 266.A O no hydrogen 3.031 N/A ILE 271.A N LEU 267.A O no hydrogen 2.998 N/A LYS 272.A N LEU 268.A O no hydrogen 2.948 N/A LYS 272.A NZ TYR 47.A OH no hydrogen 2.926 N/A GLY 273.A N PHE 270.A O no hydrogen 3.112 N/A