Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7duu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG HIS 2.A O no hydrogen 3.491 N/A HIS 2.A ND1 ASP 28.A OD2 no hydrogen 2.729 N/A SER 3.A N ASP 28.A OD1 no hydrogen 2.980 N/A MET 4.A N CYS 100.A O no hydrogen 3.134 N/A LYS 5.A N TYR 26.A O no hydrogen 2.964 N/A TYR 6.A N CYS 98.A O no hydrogen 2.750 N/A PHE 7.A N VAL 24.A O no hydrogen 2.897 N/A PHE 8.A N TRP 96.A O no hydrogen 2.852 N/A THR 9.A N ILE 22.A O no hydrogen 2.721 N/A SER 10.A N LEU 94.A O no hydrogen 2.927 N/A SER 10.A OG ASP 73.A OD2 no hydrogen 2.513 N/A VAL 11.A N ARG 20.A O no hydrogen 2.832 N/A SER 12.A N HIS 92.A O no hydrogen 2.906 N/A SER 12.A OG HIS 92.A O no hydrogen 3.500 N/A ARG 13.A NE GLU 18.A O no hydrogen 2.925 N/A ARG 13.A NH1 ASP 38.A OD2 no hydrogen 3.050 N/A ARG 13.A NH2 GLU 18.A O no hydrogen 3.383 N/A ARG 13.A NH2 ASP 38.A OD1 no hydrogen 2.804 N/A ARG 16.A N ARG 13.A O no hydrogen 3.028 N/A ARG 20.A N VAL 11.A O no hydrogen 2.864 N/A ARG 20.A NH2 ASP 38.A OD2 no hydrogen 2.874 N/A PHE 21.A N SER 37.A OG no hydrogen 2.801 N/A ILE 22.A N THR 9.A O no hydrogen 2.791 N/A SER 23.A N PHE 35.A O no hydrogen 2.859 N/A SER 23.A OG PHE 7.A O no hydrogen 3.324 N/A VAL 24.A N PHE 7.A O no hydrogen 2.895 N/A GLY 25.A N VAL 33.A O no hydrogen 3.147 N/A TYR 26.A N LYS 5.A O no hydrogen 2.888 N/A VAL 27.A N THR 30.A O no hydrogen 3.006 N/A ASP 28.A N SER 3.A O no hydrogen 2.825 N/A THR 30.A N VAL 27.A O no hydrogen 2.960 N/A THR 30.A OG1 TYR 208.A OH no hydrogen 2.674 N/A GLN 31.A NE2 VAL 33.A O no hydrogen 3.409 N/A PHE 32.A N GLY 25.A O no hydrogen 2.926 N/A ARG 34.A N GLU 45.A O no hydrogen 3.131 N/A PHE 35.A N SER 23.A O no hydrogen 2.799 N/A SER 37.A N PHE 21.A O no hydrogen 2.820 N/A SER 37.A OG PHE 21.A O no hydrogen 3.285 N/A ASP 38.A N ASP 36.A OD1 no hydrogen 2.895 N/A ALA 39.A N ASP 36.A O no hydrogen 3.273 N/A ARG 43.A NE GLU 45.A OE1 no hydrogen 2.918 N/A GLY 44.A N THR 63.A OG1 no hydrogen 3.032 N/A GLU 45.A N ARG 34.A O no hydrogen 2.952 N/A ARG 47.A N PHE 32.A O no hydrogen 2.825 N/A ARG 47.A NH1 PRO 46.A O no hydrogen 2.990 N/A VAL 51.A N ALA 48.A O no hydrogen 3.438 N/A GLU 52.A N PRO 49.A O no hydrogen 2.929 N/A GLU 54.A N VAL 51.A O no hydrogen 3.307 N/A TYR 58.A OH TYR 170.A OH no hydrogen 2.594 N/A TRP 59.A N GLY 55.A O no hydrogen 3.215 N/A TRP 59.A NE1 VAL 51.A O no hydrogen 2.977 N/A ASP 60.A N PRO 56.A O no hydrogen 2.769 N/A ARG 61.A N GLU 57.A O no hydrogen 2.962 N/A GLU 62.A N TYR 58.A O no hydrogen 3.099 N/A THR 63.A N TRP 59.A O no hydrogen 3.078 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.728 N/A GLN 64.A N ASP 60.A O no hydrogen 2.948 N/A GLN 64.A NE2 ASP 60.A OD1 no hydrogen 3.106 N/A LYS 65.A N ARG 61.A O no hydrogen 2.888 N/A LYS 65.A NZ GLU 62.A OE1 no hydrogen 2.717 N/A TYR 66.A N GLU 62.A O no hydrogen 2.899 N/A LYS 67.A N THR 63.A O no hydrogen 3.056 N/A LYS 67.A NZ PRO 42.A O no hydrogen 3.168 N/A ARG 68.A N GLN 64.A O no hydrogen 2.971 N/A GLN 69.A N LYS 65.A O no hydrogen 2.935 N/A GLN 69.A NE2 GLN 69.A O no hydrogen 3.508 N/A GLN 69.A NE2 ASP 73.A OD1 no hydrogen 3.153 N/A ALA 70.A N TYR 66.A O no hydrogen 2.876 N/A GLN 71.A N LYS 67.A O no hydrogen 3.275 N/A THR 72.A N ARG 68.A O no hydrogen 2.833 N/A THR 72.A OG1 ARG 68.A O no hydrogen 2.889 N/A ASP 73.A N GLN 69.A O no hydrogen 2.892 N/A ARG 74.A N ALA 70.A O no hydrogen 3.261 N/A VAL 75.A N GLN 71.A O no hydrogen 3.325 N/A SER 76.A N THR 72.A O no hydrogen 3.001 N/A SER 76.A OG THR 72.A O no hydrogen 3.242 N/A LEU 77.A N ASP 73.A O no hydrogen 2.786 N/A ARG 78.A N ARG 74.A O no hydrogen 3.145 N/A ARG 78.A NH1 ARG 78.A O no hydrogen 3.062 N/A ASN 79.A N VAL 75.A O no hydrogen 2.778 N/A LEU 80.A N SER 76.A O no hydrogen 2.841 N/A ARG 81.A N LEU 77.A O no hydrogen 2.939 N/A ARG 81.A NH2 GLU 88.A OE1 no hydrogen 2.289 N/A GLY 82.A N ARG 78.A O no hydrogen 3.106 N/A TYR 83.A N ASN 79.A O no hydrogen 2.798 N/A TYR 84.A N LEU 80.A O no hydrogen 3.010 N/A TYR 84.A OH ASP 136.A OD1 no hydrogen 3.211 N/A TYR 84.A OH ASP 136.A OD2 no hydrogen 2.443 N/A ASN 85.A N GLY 82.A O no hydrogen 3.032 N/A GLN 86.A N ARG 81.A O no hydrogen 2.801 N/A ALA 89.A N SER 87.A OG no hydrogen 2.872 N/A SER 91.A OG SER 12.A O no hydrogen 2.679 N/A HIS 92.A N SER 12.A OG no hydrogen 2.932 N/A HIS 92.A ND1 ASP 118.A OD2 no hydrogen 2.665 N/A THR 93.A N ASP 118.A OD1 no hydrogen 3.027 N/A LEU 94.A N SER 10.A O no hydrogen 2.917 N/A GLN 95.A N ALA 116.A O no hydrogen 2.891 N/A TRP 96.A N PHE 8.A O no hydrogen 2.959 N/A TRP 96.A NE1 ASP 113.A OD1 no hydrogen 2.601 N/A MET 97.A N GLN 114.A O no hydrogen 2.975 N/A CYS 98.A N TYR 6.A O no hydrogen 3.101 N/A CYS 98.A SG TYR 112.A O no hydrogen 3.599 N/A GLY 99.A N TYR 112.A O no hydrogen 2.967 N/A CYS 100.A N MET 4.A O no hydrogen 2.840 N/A ASP 101.A N ARG 110.A O no hydrogen 2.987 N/A LEU 102.A N HIS 2.A O no hydrogen 2.824 N/A ARG 107.A N ASP 105.A O no hydrogen 3.167 N/A LEU 109.A N ASP 101.A O no hydrogen 2.669 N/A TYR 112.A N GLY 99.A O no hydrogen 2.811 N/A TYR 112.A OH ASP 101.A OD2 no hydrogen 2.706 N/A GLN 114.A N MET 97.A O no hydrogen 2.945 N/A TYR 115.A N ILE 123.A O no hydrogen 2.798 N/A ALA 116.A N GLN 95.A O no hydrogen 2.920 N/A TYR 117.A N LYS 120.A O no hydrogen 2.812 N/A TYR 117.A OH GLN 86.A OE1 no hydrogen 2.564 N/A ASP 118.A N THR 93.A O no hydrogen 2.828 N/A LYS 120.A N TYR 117.A O no hydrogen 3.031 N/A TYR 122.A N TYR 115.A O no hydrogen 2.939 N/A TYR 122.A OH THR 142.A OG1 no hydrogen 2.758 N/A ALA 124.A N THR 133.A O no hydrogen 3.072 N/A LEU 125.A N ASP 113.A O no hydrogen 2.740 N/A ASN 126.A N SER 131.A O no hydrogen 2.868 N/A ASN 126.A ND2 SER 131.A OG no hydrogen 2.899 N/A LEU 129.A N ASN 126.A O no hydrogen 2.687 N/A ARG 130.A N ASP 128.A OD1 no hydrogen 3.138 N/A SER 131.A N ASP 128.A OD1 no hydrogen 3.061 N/A SER 131.A OG ASP 128.A OD1 no hydrogen 3.185 N/A SER 131.A OG ASP 128.A OD2 no hydrogen 3.266 N/A THR 133.A N ALA 124.A O no hydrogen 2.922 N/A THR 133.A OG1 ASN 126.A OD1 no hydrogen 2.510 N/A ALA 135.A N TYR 122.A O no hydrogen 2.943 N/A ALA 139.A N ASP 136.A OD1 no hydrogen 2.788 N/A GLN 140.A N ASP 136.A O no hydrogen 3.222 N/A GLN 140.A N THR 137.A O no hydrogen 3.254 N/A ILE 141.A N ALA 138.A O no hydrogen 2.982 N/A THR 142.A OG1 TYR 122.A OH no hydrogen 2.758 N/A GLN 143.A N ALA 139.A O no hydrogen 2.874 N/A GLN 143.A NE2 GLU 147.A OE2 no hydrogen 2.971 N/A ARG 144.A N GLN 140.A O no hydrogen 2.926 N/A LYS 145.A N ILE 141.A O no hydrogen 2.868 N/A LYS 145.A NZ TYR 83.A OH no hydrogen 2.858 N/A TRP 146.A N THR 142.A O no hydrogen 2.818 N/A GLU 147.A N GLN 143.A O no hydrogen 2.785 N/A ALA 148.A N ARG 144.A O no hydrogen 3.083 N/A ALA 149.A N LYS 145.A O no hydrogen 2.893 N/A ARG 150.A N GLU 147.A O no hydrogen 3.188 N/A ARG 150.A NH1 GLU 153.A OE1 no hydrogen 2.865 N/A GLU 151.A N TRP 146.A O no hydrogen 2.973 N/A GLU 153.A N ARG 150.A O no hydrogen 3.324 N/A GLN 154.A N GLU 151.A O no hydrogen 2.795 N/A ARG 155.A N GLU 151.A O no hydrogen 3.074 N/A ARG 155.A NE GLU 151.A OE1 no hydrogen 3.049 N/A ARG 155.A NH1 ASP 113.A OD2 no hydrogen 2.753 N/A ARG 155.A NH1 TYR 115.A OH no hydrogen 2.820 N/A ARG 155.A NH2 TYR 115.A OH no hydrogen 3.116 N/A ARG 155.A NH2 GLU 151.A OE1 no hydrogen 2.998 N/A ARG 156.A N ALA 152.A O no hydrogen 2.920 N/A ALA 157.A N GLU 153.A O no hydrogen 3.245 N/A TYR 158.A N GLN 154.A O no hydrogen 3.031 N/A LEU 159.A N ARG 155.A O no hydrogen 2.833 N/A GLU 160.A N ARG 156.A O no hydrogen 2.874 N/A GLY 161.A N ALA 157.A O no hydrogen 2.979 N/A CYS 163.A N TYR 158.A O no hydrogen 2.716 N/A GLU 165.A N GLY 161.A O no hydrogen 2.739 N/A TRP 166.A N THR 162.A O no hydrogen 2.972 N/A LEU 167.A N CYS 163.A O no hydrogen 3.132 N/A ARG 168.A N VAL 164.A O no hydrogen 3.139 N/A ARG 168.A NE GLY 106.A O no hydrogen 2.836 N/A ARG 168.A NH2 GLY 106.A O no hydrogen 2.719 N/A ARG 169.A N GLU 165.A O no hydrogen 3.165 N/A ARG 169.A NE GLU 54.A OE1 no hydrogen 3.197 N/A ARG 169.A NE GLU 54.A OE2 no hydrogen 2.980 N/A ARG 169.A NH2 GLU 54.A OE1 no hydrogen 2.615 N/A ARG 169.A NH2 GLU 54.A OE2 no hydrogen 3.387 N/A TYR 170.A N TRP 166.A O no hydrogen 2.810 N/A TYR 170.A OH TYR 58.A OH no hydrogen 2.594 N/A LEU 171.A N LEU 167.A O no hydrogen 2.813 N/A GLU 172.A N ARG 168.A O no hydrogen 3.129 N/A GLU 172.A N ARG 169.A O no hydrogen 3.100 N/A ASN 173.A N ARG 169.A O no hydrogen 2.988 N/A GLY 174.A N TYR 170.A O no hydrogen 2.899 N/A LYS 175.A N GLU 172.A O no hydrogen 3.225 N/A LYS 175.A NZ GLU 172.A OE1 no hydrogen 3.263 N/A THR 177.A N GLY 174.A O no hydrogen 2.949 N/A THR 177.A OG1 GLY 174.A O no hydrogen 3.569 N/A LEU 178.A N GLY 174.A O no hydrogen 2.726 N/A GLN 179.A N LYS 175.A O no hydrogen 3.128 N/A GLN 179.A NE2 LEU 171.A O no hydrogen 2.630 N/A ARG 180.A NE GLU 176.A OE2 no hydrogen 3.438 N/A ARG 180.A NH2 GLU 176.A OE1 no hydrogen 3.501 N/A LYS 185.A N LEU 205.A O no hydrogen 2.820 N/A HIS 187.A N TRP 203.A O no hydrogen 3.314 N/A THR 189.A N ARG 201.A O no hydrogen 2.856 N/A THR 189.A OG1 HIS 191.A NE2 no hydrogen 2.783 N/A THR 189.A OG1 ARG 201.A O no hydrogen 3.504 N/A HIS 190.A NE2 GLU 253.A OE2 no hydrogen 3.233 N/A HIS 191.A N THR 199.A O no hydrogen 2.838 N/A HIS 191.A NE2 THR 189.A OG1 no hydrogen 2.783 N/A VAL 193.A N GLU 197.A O no hydrogen 2.940 N/A SER 194.A N GLU 197.A O no hydrogen 3.073 N/A SER 194.A OG GLU 197.A O no hydrogen 3.525 N/A HIS 196.A N SER 194.A OG no hydrogen 2.802 N/A ALA 198.A N VAL 248.A O no hydrogen 3.039 N/A THR 199.A N HIS 191.A O no hydrogen 2.834 N/A LEU 200.A N VAL 246.A O no hydrogen 2.948 N/A ARG 201.A N THR 189.A O no hydrogen 2.903 N/A CYS 202.A N ALA 244.A O no hydrogen 2.724 N/A TRP 203.A N HIS 187.A O no hydrogen 2.892 N/A TRP 203.A NE1 THR 189.A OG1 no hydrogen 2.988 N/A ALA 204.A N LYS 242.A O no hydrogen 2.763 N/A LEU 205.A N LYS 185.A O no hydrogen 2.972 N/A PHE 207.A N PHE 240.A O no hydrogen 3.291 N/A TYR 208.A N GLU 182.A O no hydrogen 3.008 N/A TYR 208.A OH THR 30.A OG1 no hydrogen 2.674 N/A ALA 210.A N ASP 29.A OD2 no hydrogen 2.993 N/A THR 213.A N GLN 261.A O no hydrogen 3.111 N/A THR 215.A N HIS 259.A O no hydrogen 2.985 N/A TRP 216.A NE1 ALA 244.A O no hydrogen 2.862 N/A GLN 217.A N THR 257.A O no hydrogen 2.644 N/A GLN 217.A NE2 GLY 220.A O no hydrogen 3.072 N/A TRP 218.A N GLU 221.A O no hydrogen 2.929 N/A ASP 219.A N ARG 255.A O no hydrogen 3.090 N/A GLU 221.A N TRP 218.A O no hydrogen 2.884 N/A GLN 223.A N TRP 216.A O no hydrogen 2.904 N/A THR 224.A OG1 GLN 225.A OE1 no hydrogen 3.505 N/A THR 227.A OG1 GLN 223.A O no hydrogen 2.250 N/A THR 227.A OG1 GLN 225.A O no hydrogen 3.246 N/A GLU 228.A N ALA 245.A O no hydrogen 2.906 N/A VAL 230.A N TRP 243.A O no hydrogen 3.258 N/A ARG 233.A N GLN 241.A O no hydrogen 3.031 N/A ARG 233.A NE GLN 241.A OE1 no hydrogen 2.762 N/A ARG 233.A NH2 GLN 241.A OE1 no hydrogen 2.933 N/A ALA 235.A N THR 239.A O no hydrogen 2.819 N/A THR 239.A N ASP 237.A OD1 no hydrogen 2.947 N/A THR 239.A OG1 ASP 237.A OD1 no hydrogen 2.622 N/A PHE 240.A N PHE 207.A O no hydrogen 2.847 N/A GLN 241.A N ARG 233.A O no hydrogen 2.883 N/A LYS 242.A N ALA 204.A O no hydrogen 2.916 N/A LYS 242.A NZ VAL 230.A O no hydrogen 2.584 N/A LYS 242.A NZ THR 232.A OG1 no hydrogen 3.138 N/A ALA 244.A N CYS 202.A O no hydrogen 2.860 N/A ALA 245.A N GLU 228.A O no hydrogen 2.658 N/A VAL 246.A N LEU 200.A O no hydrogen 2.882 N/A VAL 248.A N ALA 198.A O no hydrogen 2.977 N/A SER 250.A N HIS 196.A O no hydrogen 3.360 N/A SER 250.A OG ASP 195.A O no hydrogen 3.001 N/A GLY 251.A N GLU 253.A OE1 no hydrogen 2.625 N/A GLU 252.A N PRO 249.A O no hydrogen 3.005 N/A GLU 253.A N GLU 253.A OE1 no hydrogen 2.947 N/A ARG 255.A N GLU 252.A O no hydrogen 3.290 N/A ARG 255.A NH1 ASP 219.A OD2 no hydrogen 3.186 N/A ARG 255.A NH2 GLU 252.A OE1 no hydrogen 3.290 N/A ARG 255.A NH2 GLU 252.A OE2 no hydrogen 2.466 N/A TYR 256.A N GLU 253.A O no hydrogen 3.092 N/A THR 257.A N GLN 217.A O no hydrogen 2.856 N/A THR 257.A OG1 GLN 217.A OE1 no hydrogen 3.458 N/A CYS 258.A N LEU 271.A O no hydrogen 2.842 N/A HIS 259.A N THR 215.A O no hydrogen 2.755 N/A VAL 260.A N LEU 269.A O no hydrogen 2.731 N/A GLN 261.A N THR 213.A O no hydrogen 2.923 N/A HIS 262.A NE2 PRO 209.A O no hydrogen 2.710 N/A GLY 264.A N HIS 262.A ND1 no hydrogen 3.039 N/A LEU 265.A N HIS 262.A O no hydrogen 2.832 N/A LEU 269.A N VAL 260.A O no hydrogen 2.808 N/A LEU 271.A N CYS 258.A O no hydrogen 2.882 N/A ARG 272.A NH1 GLN 254.A O no hydrogen 2.645 N/A