Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xac_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N GLN 25.A O no hydrogen 2.825 N/A ASP 8.A N ASP 11.A OD2 no hydrogen 2.954 N/A ARG 10.A NH1.A GLU 13.A OE1 no hydrogen 2.485 N/A ASP 11.A N ASP 8.A OD1 no hydrogen 3.119 N/A ARG 12.A N ASP 8.A O no hydrogen 3.414 N/A ARG 12.A NE.A ALA 94.A O no hydrogen 3.412 N/A ARG 12.A NH2.A ASP 97.A OD1 no hydrogen 3.496 N/A ARG 12.A NH2.A ASP 97.A OD2 no hydrogen 2.725 N/A GLU 13.A N HIS 9.A O no hydrogen 2.909 N/A GLU 14.A N ARG 10.A O no hydrogen 3.016 N/A PHE 15.A N ASP 11.A O no hydrogen 2.948 N/A ARG 16.A N ARG 12.A O no hydrogen 2.913 N/A ARG 16.A NE PHE 95.A O no hydrogen 2.650 N/A ARG 16.A NH2 PHE 95.A O no hydrogen 2.893 N/A ARG 16.A NH2 ASP 97.A OD2 no hydrogen 2.462 N/A SER 17.A N GLU 13.A O no hydrogen 2.907 N/A ARG 18.A N GLU 14.A O no hydrogen 2.750 N/A GLY 19.A N PHE 15.A O no hydrogen 2.719 N/A ALA 21.A N VAL 202.A O no hydrogen 2.910 N/A LEU 23.A N ALA 200.A O no hydrogen 2.763 N/A GLN 25.A NE2 ALA 27.A O no hydrogen 2.890 N/A GLN 25.A NE2 GLU 29.A OE2 no hydrogen 3.119 N/A VAL 26.A N GLY 198.A O no hydrogen 2.784 N/A ALA 27.A N GLY 198.A O no hydrogen 3.059 N/A SER 28.A N GLU 31.A OE1 no hydrogen 2.941 N/A SER 28.A OG SER 30.A OG no hydrogen 2.984 N/A SER 30.A N MET 1.A O no hydrogen 3.390 N/A SER 30.A OG SER 28.A OG no hydrogen 2.984 N/A GLU 31.A N SER 28.A OG no hydrogen 3.061 N/A VAL 32.A N SER 28.A O no hydrogen 2.843 N/A ALA 33.A N GLU 29.A O no hydrogen 2.918 N/A TRP 34.A N SER 30.A O no hydrogen 3.148 N/A LEU 35.A N GLU 31.A O no hydrogen 2.878 N/A ARG 36.A N VAL 32.A O no hydrogen 2.842 N/A ARG 36.A NE LEU 144.A O no hydrogen 2.883 N/A ARG 36.A NH2 LEU 144.A O no hydrogen 2.760 N/A GLN 37.A N ALA 33.A O no hydrogen 3.233 N/A ALA 38.A N TRP 34.A O no hydrogen 2.969 N/A TYR 39.A N LEU 35.A O no hydrogen 2.962 N/A TYR 39.A OH ALA 222.A O no hydrogen 2.598 N/A ASP 40.A N ARG 36.A O no hydrogen 2.823 N/A ARG 41.A N ALA 38.A O no hydrogen 3.311 N/A LEU 42.A N ALA 38.A O no hydrogen 3.015 N/A PHE 43.A N TYR 39.A O no hydrogen 2.753 N/A ARG 45.A NE ASP 53.A OD2 no hydrogen 3.000 N/A ARG 45.A NH1 TYR 55.A OH no hydrogen 3.428 N/A ARG 45.A NH2 ASP 53.A OD2 no hydrogen 3.307 N/A ARG 46.A N PHE 54.A O no hydrogen 2.767 N/A ARG 46.A NH1 ASP 56.A OD2 no hydrogen 2.996 N/A THR 48.A OG1 GLU 52.A O no hydrogen 3.251 N/A GLY 50.A N THR 48.A O no hydrogen 2.789 N/A ALA 51.A N THR 48.A OG1 no hydrogen 3.237 N/A PHE 54.A N ARG 46.A O no hydrogen 2.948 N/A ASP 56.A N VAL 44.A O no hydrogen 2.853 N/A ILE 57.A N TYR 55.A O no hydrogen 2.897 N/A GLN 60.A N ILE 57.A O no hydrogen 3.198 N/A GLN 60.A NE2 LEU 65.A O no hydrogen 2.764 N/A ARG 61.A N ILE 57.A O no hydrogen 3.203 N/A GLN 68.A NE2 HIS 108.A NE2 no hydrogen 2.945 N/A ILE 69.A N ALA 109.A O no hydrogen 2.865 N/A LYS 71.A N GLY 107.A O no hydrogen 2.973 N/A GLU 73.A N GLU 73.A OE1 no hydrogen 2.646 N/A LYS 74.A N LYS 71.A O no hydrogen 3.025 N/A TYR 75.A N PRO 72.A O no hydrogen 2.915 N/A VAL 76.A N PRO 72.A O no hydrogen 2.871 N/A LEU 79.A N VAL 76.A O no hydrogen 2.999 N/A LEU 80.A N PRO 77.A O no hydrogen 3.316 N/A SER 82.A OG LEU 79.A O no hydrogen 2.883 N/A HIS 84.A NE2 THR 142.A OG1 no hydrogen 3.079 N/A PHE 85.A N SER 82.A OG no hydrogen 3.074 N/A ALA 86.A N SER 82.A O no hydrogen 3.374 N/A ARG 87.A N PRO 83.A O no hydrogen 3.025 N/A ARG 87.A NH1 VAL 26.A O no hydrogen 2.764 N/A ARG 87.A NH1 GLU 31.A OE1 no hydrogen 2.813 N/A ARG 87.A NH1 GLU 31.A OE2 no hydrogen 3.412 N/A ARG 87.A NH2 GLU 31.A OE2 no hydrogen 2.878 N/A CYS 88.A N HIS 84.A O no hydrogen 2.981 N/A CYS 88.A SG HIS 84.A O no hydrogen 3.277 N/A ARG 89.A N PHE 85.A O no hydrogen 2.859 N/A ARG 89.A NE GLU 100.A OE1 no hydrogen 3.032 N/A SER 90.A N ALA 86.A O no hydrogen 2.980 N/A SER 90.A OG GLU 100.A OE2 no hydrogen 3.376 N/A ILE 91.A N ARG 87.A O no hydrogen 2.983 N/A ALA 92.A N CYS 88.A O no hydrogen 2.870 N/A SER 93.A N ARG 89.A O no hydrogen 2.935 N/A SER 93.A OG MET 98.A O no hydrogen 2.513 N/A ALA 94.A N SER 90.A O no hydrogen 3.002 N/A PHE 95.A N ILE 91.A O no hydrogen 2.880 N/A LEU 96.A N ALA 92.A O no hydrogen 2.833 N/A MET 98.A N SER 93.A O no hydrogen 3.229 N/A GLU 101.A N GLU 101.A OE1 no hydrogen 2.666 N/A GLU 102.A N ALA 99.A O no hydrogen 2.855 N/A LEU 103.A N GLU 100.A O no hydrogen 3.251 N/A GLU 104.A N MET 228.A O no hydrogen 2.797 N/A TYR 106.A N VAL 226.A O no hydrogen 3.117 N/A GLY 107.A N GLU 73.A OE2 no hydrogen 2.855 N/A HIS 108.A N VAL 224.A O no hydrogen 2.842 N/A ALA 109.A N ILE 69.A O no hydrogen 2.898 N/A ILE 110.A N ALA 222.A O no hydrogen 2.960 N/A LEU 111.A N PRO 67.A O no hydrogen 3.050 N/A LYS 112.A N ARG 220.A O no hydrogen 2.907 N/A ARG 115.A N THR 216.A O no hydrogen 2.894 N/A TYR 116.A N PRO 113.A O no hydrogen 3.206 N/A THR 120.A N ALA 211.A O no hydrogen 2.664 N/A HIS 123.A N HIS 209.A O no hydrogen 3.026 N/A HIS 123.A ND1 PRO 121.A O no hydrogen 3.003 N/A GLN 124.A N HIS 168.A NE2 no hydrogen 3.013 N/A GLN 124.A NE2 PRO 164.A O no hydrogen 3.005 N/A GLN 124.A NE2 ARG 206.A O no hydrogen 2.761 N/A GLU 126.A N PHE 205.A O no hydrogen 2.878 N/A ALA 127.A N GLN 124.A O no hydrogen 2.903 N/A TYR 128.A N ASP 125.A O no hydrogen 3.086 N/A MET 129.A N GLU 126.A O no hydrogen 2.885 N/A ARG 132.A N ASP 130.A OD1 no hydrogen 2.951 N/A ARG 132.A NE ASP 130.A OD1 no hydrogen 3.005 N/A ARG 132.A NE ASP 130.A OD2 no hydrogen 3.353 N/A ARG 132.A NH2 ASP 130.A OD2 no hydrogen 2.907 N/A TRP 133.A N ASP 130.A O no hydrogen 3.179 N/A ARG 134.A N ALA 232.A O no hydrogen 2.889 N/A ARG 135.A NH1 GLU 104.A OE1 no hydrogen 3.209 N/A ARG 135.A NH1 SER 229.A O no hydrogen 2.940 N/A ARG 136.A N SER 229.A OG no hydrogen 2.959 N/A ARG 136.A NH1 LEU 96.A O no hydrogen 2.822 N/A ARG 136.A NH2 LEU 96.A O no hydrogen 2.501 N/A LEU 138.A N PHE 227.A O no hydrogen 2.904 N/A SER 139.A N HIS 203.A O no hydrogen 2.903 N/A ILE 140.A N LEU 225.A O no hydrogen 2.737 N/A TRP 141.A N VAL 201.A O no hydrogen 2.744 N/A THR 142.A N TYR 223.A O no hydrogen 2.853 N/A THR 142.A OG1 HIS 84.A NE2 no hydrogen 3.079 N/A THR 143.A N GLY 199.A O no hydrogen 2.985 N/A THR 143.A OG1 ASP 145.A O no hydrogen 2.619 N/A THR 143.A OG1 ARG 221.A O no hydrogen 3.495 N/A LEU 144.A N ARG 221.A O no hydrogen 2.850 N/A ASP 145.A N THR 143.A OG1 no hydrogen 3.283 N/A ALA 147.A N LEU 195.A O no hydrogen 2.860 N/A THR 148.A N SER 151.A OG no hydrogen 2.709 N/A THR 148.A OG1 SER 151.A OG no hydrogen 3.388 N/A SER 151.A N THR 148.A O no hydrogen 3.087 N/A SER 151.A OG GLU 146.A O no hydrogen 3.412 N/A SER 151.A OG THR 148.A O no hydrogen 3.440 N/A SER 151.A OG THR 148.A OG1 no hydrogen 3.388 N/A GLY 152.A N THR 148.A O no hydrogen 3.013 N/A CYS 153.A N THR 148.A O no hydrogen 2.872 N/A CYS 153.A SG LEU 154.A O no hydrogen 3.808 N/A HIS 155.A N TYR 210.A O no hydrogen 2.760 N/A TYR 156.A N VAL 191.A O no hydrogen 2.872 N/A TYR 156.A OH HIS 203.A ND1 no hydrogen 2.744 N/A LEU 157.A N PRO 208.A O no hydrogen 3.072 N/A GLY 159.A N ARG 18.A O no hydrogen 2.846 N/A GLY 160.A N LEU 157.A O no hydrogen 3.057 N/A HIS 161.A NE2 ARG 16.A O no hydrogen 2.803 N/A ARG 162.A N GLY 159.A O no hydrogen 3.172 N/A ARG 162.A NH1.B SER 17.A O no hydrogen 2.862 N/A GLY 163.A N GLY 160.A O no hydrogen 3.056 N/A LEU 166.A N GLN 124.A OE1 no hydrogen 2.756 N/A HIS 168.A ND1 LEU 166.A O no hydrogen 2.668 N/A HIS 169.A N MET 181.A O no hydrogen 2.854 N/A HIS 169.A ND1 HIS 170.A O no hydrogen 3.155 N/A HIS 169.A NE2 ASP 183.A OD2 no hydrogen 3.135 N/A ILE 171.A N GLY 179.A O no hydrogen 2.999 N/A ASP 174.A N ASP 172.A OD1 no hydrogen 2.935 N/A ASP 175.A N ASP 172.A O no hydrogen 2.895 N/A ARG 176.A NE ASN 173.A O no hydrogen 3.189 N/A ARG 176.A NH1 ASP 244.A OD2 no hydrogen 3.039 N/A ARG 176.A NH2 ASN 173.A OD1 no hydrogen 3.043 N/A ARG 178.A N ASP 175.A O no hydrogen 3.121 N/A GLY 179.A N ARG 176.A O no hydrogen 2.899 N/A LEU 180.A N TYR 128.A OH no hydrogen 2.824 N/A MET 181.A N HIS 169.A O no hydrogen 2.953 N/A THR 182.A N TRP 122.A O no hydrogen 2.946 N/A THR 182.A OG1 PRO 167.A O no hydrogen 2.712 N/A ASP 184.A N THR 182.A OG1 no hydrogen 3.090 N/A THR 188.A N ASP 186.A OD1 no hydrogen 3.239 N/A SER 189.A N ASP 186.A O no hydrogen 2.901 N/A SER 189.A OG ASP 186.A OD2 no hydrogen 3.508 N/A ALA 190.A N PRO 187.A O no hydrogen 3.160 N/A VAL 191.A N TYR 156.A O no hydrogen 2.957 N/A CYS 193.A N LEU 154.A O no hydrogen 2.886 N/A LEU 195.A N ALA 147.A O no hydrogen 2.964 N/A GLY 198.A N THR 143.A O no hydrogen 2.803 N/A GLY 199.A N ALA 196.A O no hydrogen 2.886 N/A ALA 200.A N LEU 23.A O no hydrogen 2.850 N/A VAL 201.A N TRP 141.A O no hydrogen 3.014 N/A VAL 202.A N ALA 21.A O no hydrogen 2.903 N/A HIS 203.A N SER 139.A O no hydrogen 2.980 N/A HIS 203.A ND1 TYR 156.A OH no hydrogen 2.744 N/A HIS 203.A NE2 ASP 125.A OD2 no hydrogen 2.876 N/A ASP 204.A N GLY 19.A O no hydrogen 3.111 N/A PHE 205.A N GLY 137.A O no hydrogen 3.145 N/A ARG 206.A N ASP 204.A OD1 no hydrogen 2.766 N/A ARG 206.A NE GLU 126.A OE1 no hydrogen 2.749 N/A ARG 206.A NH2 GLU 126.A OE1 no hydrogen 3.459 N/A ARG 206.A NH2 GLU 126.A OE2 no hydrogen 3.005 N/A THR 207.A N ASP 204.A O no hydrogen 3.186 N/A THR 207.A OG1 GLY 19.A O no hydrogen 2.625 N/A HIS 209.A N HIS 123.A O no hydrogen 2.930 N/A HIS 209.A ND1 THR 207.A O no hydrogen 2.910 N/A TYR 210.A N HIS 155.A O no hydrogen 2.998 N/A ALA 211.A N THR 120.A O no hydrogen 2.903 N/A ASN 214.A N TYR 116.A O no hydrogen 2.807 N/A ASN 214.A ND2 LYS 112.A O no hydrogen 3.169 N/A ASN 214.A ND2 PRO 113.A O no hydrogen 2.847 N/A ASN 214.A ND2 GLN 218.A O no hydrogen 2.797 N/A LEU 215.A N GLU 150.A O no hydrogen 2.749 N/A THR 216.A N ASN 214.A OD1 no hydrogen 3.012 N/A THR 216.A OG1 ASN 214.A OD1 no hydrogen 2.733 N/A THR 216.A OG1 GLN 218.A O no hydrogen 3.148 N/A THR 216.A OG1 GLN 218.A OE1 no hydrogen 3.459 N/A GLN 218.A N THR 216.A OG1 no hydrogen 3.385 N/A ARG 220.A N LYS 112.A O no hydrogen 2.830 N/A ARG 220.A NE.A ARG 220.A O no hydrogen 3.222 N/A ARG 220.A NE.B THR 216.A OG1 no hydrogen 3.094 N/A ARG 220.A NE.B GLN 218.A O no hydrogen 3.290 N/A ARG 220.A NH1.A GLY 152.A O no hydrogen 2.806 N/A ARG 220.A NH1.B GLU 146.A O no hydrogen 2.734 N/A ARG 220.A NH2.B THR 216.A OG1 no hydrogen 2.803 N/A ARG 221.A N ASP 145.A OD2 no hydrogen 2.816 N/A ARG 221.A NE ASP 145.A OD2 no hydrogen 2.872 N/A ARG 221.A NH2 ASP 145.A OD1 no hydrogen 2.901 N/A ALA 222.A N ILE 110.A O no hydrogen 2.909 N/A TYR 223.A N THR 142.A O no hydrogen 2.770 N/A VAL 224.A N HIS 108.A O no hydrogen 2.738 N/A LEU 225.A N ILE 140.A O no hydrogen 2.921 N/A VAL 226.A N TYR 106.A O no hydrogen 2.864 N/A PHE 227.A N LEU 138.A O no hydrogen 3.003 N/A MET 228.A N GLU 104.A O no hydrogen 2.856 N/A SER 229.A N ARG 136.A O no hydrogen 2.747 N/A SER 229.A OG ARG 136.A O no hydrogen 3.472 N/A SER 229.A OG ALA 230.A O no hydrogen 2.936 N/A ALA 232.A N ARG 134.A O no hydrogen 2.834 N/A VAL 234.A N ARG 132.A O no hydrogen 3.029 N/A ARG 240.A NE GLU 238.A OE1 no hydrogen 3.221 N/A ARG 240.A NH1 MET 129.A O no hydrogen 2.716 N/A ARG 240.A NH2 GLU 126.A OE2 no hydrogen 3.126 N/A ARG 240.A NH2 GLU 238.A OE1 no hydrogen 3.101 N/A TRP 242.A NE1 ALA 127.A O no hydrogen 2.848 N/A MET 243.A N ARG 240.A O no hydrogen 3.107 N/A