Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ao8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N SER 19.A O no hydrogen 2.947 N/A TRP 3.A NE1 GLU 119.A OE1 no hydrogen 2.808 N/A ASN 4.A N GLY 17.A O no hydrogen 3.087 N/A ASP 7.A N GLY 5.A O no hydrogen 2.781 N/A GLU 8.A N GLU 15.A O no hydrogen 2.764 N/A GLN 14.A N SER 33.A O no hydrogen 2.688 N/A GLU 15.A N GLU 8.A O no hydrogen 2.831 N/A ARG 16.A N TYR 31.A O no hydrogen 2.889 N/A ARG 16.A NH2 GLU 120.A OE2 no hydrogen 2.942 N/A GLY 17.A N LYS 6.A O no hydrogen 2.912 N/A PHE 18.A N GLY 29.A O no hydrogen 3.077 N/A SER 19.A N SER 2.A O no hydrogen 2.834 N/A LEU 20.A N VAL 27.A O no hydrogen 2.701 N/A VAL 22.A N ARG 25.A O no hydrogen 2.773 N/A ARG 25.A N VAL 22.A O no hydrogen 2.692 N/A THR 26.A OG1 GLU 21.A OE1 no hydrogen 3.216 N/A VAL 27.A N LEU 20.A O no hydrogen 2.636 N/A GLY 29.A N PHE 18.A O no hydrogen 2.853 N/A VAL 30.A N ALA 74.A O no hydrogen 2.818 N/A TYR 31.A N ARG 16.A O no hydrogen 2.804 N/A TRP 32.A N ALA 72.A O no hydrogen 2.800 N/A SER 33.A N GLN 14.A O no hydrogen 2.956 N/A ALA 35.A N SER 12.A O no hydrogen 2.672 N/A SER 39.A OG.A ARG 41.A O no hydrogen 3.386 N/A SER 39.A OG.A GLY 69.A O no hydrogen 2.933 N/A SER 39.A OG.A SER 71.A OG no hydrogen 2.793 N/A SER 39.A OG.B GLY 69.A O no hydrogen 2.703 N/A SER 39.A OG.B SER 71.A OG no hydrogen 3.031 N/A ARG 41.A NH1 ASP 230.A O no hydrogen 2.810 N/A ARG 41.A NH1 ASP 230.A OD1 no hydrogen 3.373 N/A ARG 41.A NH1 LEU 233.A O no hydrogen 2.942 N/A ARG 41.A NH2 ARG 68.A O no hydrogen 3.457 N/A ARG 41.A NH2 ASP 230.A OD1 no hydrogen 2.840 N/A LEU 42.A N PRO 124.A O no hydrogen 2.950 N/A VAL 43.A N SER 71.A O no hydrogen 2.868 N/A LEU 44.A N GLY 126.A O no hydrogen 2.887 N/A LEU 45.A N MET 73.A O no hydrogen 2.755 N/A GLY 46.A N TRP 128.A O no hydrogen 2.841 N/A HIS 47.A ND1.A GLY 48.A O.B no hydrogen 2.543 N/A HIS 47.A ND1.B GLY 48.A O.B no hydrogen 2.937 N/A GLY 48.A N.B THR 51.A OG1 no hydrogen 2.860 N/A THR 50.A N HIS 80.A NE2 no hydrogen 3.230 N/A THR 51.A N GLY 48.A O.B no hydrogen 3.048 N/A THR 51.A OG1 HIS 47.A ND1.A no hydrogen 3.250 N/A THR 51.A OG1 HIS 47.A ND1.B no hydrogen 3.220 N/A THR 51.A OG1 GLY 48.A O.B no hydrogen 2.959 N/A LYS 53.A N ASP 76.A OD1 no hydrogen 2.813 N/A LYS 53.A NZ ASP 76.A OD1 no hydrogen 3.318 N/A LYS 53.A NZ ASP 76.A OD2 no hydrogen 2.634 N/A LYS 54.A N HIS 52.A ND1 no hydrogen 3.282 N/A LYS 54.A NZ GLU 15.A OE2 no hydrogen 2.955 N/A VAL 55.A N HIS 52.A O no hydrogen 3.095 N/A GLU 59.A N VAL 55.A O no hydrogen 3.151 N/A GLN 60.A N GLU 56.A O no hydrogen 2.811 N/A VAL 61.A N TYR 57.A O.A no hydrogen 2.872 N/A VAL 61.A N TYR 57.A O.C no hydrogen 2.938 N/A ALA 62.A N ILE 58.A O no hydrogen 2.928 N/A LYS 63.A N GLU 59.A O no hydrogen 2.945 N/A LYS 63.A NZ GLU 59.A OE1 no hydrogen 3.288 N/A LEU 64.A N GLN 60.A O no hydrogen 3.119 N/A LEU 65.A N VAL 61.A O no hydrogen 2.844 N/A VAL 66.A N ALA 62.A O no hydrogen 2.962 N/A GLY 67.A N LYS 63.A O no hydrogen 3.106 N/A ARG 68.A N LEU 65.A O no hydrogen 2.811 N/A ARG 68.A NH1 ASP 227.A OD1 no hydrogen 2.943 N/A ARG 68.A NH1 ASP 230.A OD2 no hydrogen 2.890 N/A ARG 68.A NH2 ASP 227.A OD1 no hydrogen 3.011 N/A GLY 69.A N VAL 66.A O no hydrogen 2.796 N/A ILE 70.A N LEU 65.A O no hydrogen 2.948 N/A SER 71.A N ARG 41.A O no hydrogen 2.922 N/A SER 71.A OG TYR 31.A OH no hydrogen 3.382 N/A SER 71.A OG SER 39.A OG.A no hydrogen 2.793 N/A SER 71.A OG SER 39.A OG.B no hydrogen 3.031 N/A ALA 72.A N TRP 32.A O no hydrogen 2.954 N/A MET 73.A N VAL 43.A O no hydrogen 2.942 N/A ALA 74.A N VAL 30.A O no hydrogen 2.927 N/A ASP 76.A N PRO 28.A O no hydrogen 3.175 N/A GLY 77.A N HIS 47.A NE2.A no hydrogen 2.971 N/A GLY 77.A N HIS 47.A NE2.B no hydrogen 3.055 N/A HIS 80.A N GLY 77.A O no hydrogen 2.995 N/A HIS 80.A ND1 PRO 78.A O no hydrogen 2.633 N/A GLU 82.A N ASP 76.A OD2 no hydrogen 2.708 N/A ARG 83.A N HIS 80.A O no hydrogen 2.922 N/A ARG 83.A NH1 ASP 76.A O no hydrogen 3.029 N/A ARG 83.A NH1 ASP 108.A OD2 no hydrogen 2.936 N/A ARG 83.A NH2 ASP 108.A OD2 no hydrogen 2.631 N/A VAL 86.A N GLY 49.A O.A no hydrogen 2.921 N/A VAL 86.A N GLY 49.A O.B no hydrogen 2.691 N/A VAL 87.A N ASP 85.A OD1 no hydrogen 3.142 N/A GLY 88.A N ASP 85.A O no hydrogen 3.291 N/A LEU 89.A N VAL 86.A O no hydrogen 3.284 N/A PHE 92.A N LEU 89.A O no hydrogen 3.258 N/A MET 95.A N ALA 91.A O no hydrogen 3.287 N/A TRP 96.A N PHE 92.A O no hydrogen 2.953 N/A HIS 97.A N PRO 93.A O no hydrogen 3.062 N/A GLU 98.A N ARG 94.A O no hydrogen 3.005 N/A GLY 99.A N MET 95.A O no hydrogen 3.252 N/A GLY 100.A N HIS 97.A O no hydrogen 3.114 N/A GLY 101.A N TRP 96.A O no hydrogen 3.202 N/A THR 102.A OG1 ASP 164.A OD2 no hydrogen 2.665 N/A ALA 104.A N GLY 100.A O no hydrogen 3.374 N/A VAL 105.A N GLY 101.A O no hydrogen 3.202 N/A ILE 106.A N THR 102.A O no hydrogen 3.010 N/A ALA 107.A N ALA 103.A O no hydrogen 3.107 N/A ASP 108.A N ALA 104.A O no hydrogen 2.845 N/A TRP 109.A N VAL 105.A O no hydrogen 2.939 N/A ALA 110.A N ILE 106.A O no hydrogen 2.996 N/A ALA 111.A N ALA 107.A O no hydrogen 2.937 N/A ALA 112.A N ASP 108.A O no hydrogen 2.962 N/A LEU 113.A N TRP 109.A O no hydrogen 2.987 N/A ASP 114.A N ALA 110.A O no hydrogen 2.945 N/A PHE 115.A N ALA 111.A O no hydrogen 2.947 N/A ILE 116.A N ALA 112.A O no hydrogen 3.024 N/A GLU 117.A N LEU 113.A O no hydrogen 2.890 N/A ALA 118.A N ASP 114.A O no hydrogen 3.081 N/A GLU 119.A N PHE 115.A O no hydrogen 3.044 N/A GLU 120.A N ILE 116.A O no hydrogen 2.774 N/A GLY 121.A N GLU 117.A O no hydrogen 2.894 N/A ARG 123.A NH1 TYR 31.A OH no hydrogen 3.262 N/A ARG 123.A NH1 SER 39.A O.A no hydrogen 3.017 N/A ARG 123.A NH1 SER 39.A O.B no hydrogen 2.999 N/A ARG 123.A NH1 SER 71.A OG no hydrogen 3.380 N/A ARG 123.A NH2 TYR 31.A OH no hydrogen 2.861 N/A THR 125.A OG1 ARG 123.A O no hydrogen 2.671 N/A GLY 126.A N LEU 42.A O no hydrogen 2.920 N/A TRP 127.A N VAL 149.A O no hydrogen 2.904 N/A TRP 127.A NE1 GLY 133.A O no hydrogen 3.040 N/A TRP 128.A N LEU 44.A O no hydrogen 2.869 N/A TRP 128.A NE1 THR 225.A OG1 no hydrogen 2.874 N/A GLY 129.A N LEU 151.A O no hydrogen 2.916 N/A SER 131.A N GLY 153.A O no hydrogen 2.815 N/A SER 131.A OG GLY 48.A O.A no hydrogen 3.180 N/A SER 131.A OG ASP 85.A OD2 no hydrogen 3.054 N/A SER 131.A OG HIS 213.A NE2 no hydrogen 3.201 N/A MET 132.A N GLY 48.A O.A no hydrogen 2.999 N/A GLY 133.A N LEU 130.A O no hydrogen 2.774 N/A THR 134.A N SER 131.A O no hydrogen 2.932 N/A THR 134.A OG1 GLY 129.A O no hydrogen 2.659 N/A THR 134.A OG1 GLY 153.A O no hydrogen 3.171 N/A MET 135.A N SER 131.A O no hydrogen 3.020 N/A MET 136.A N.A MET 132.A O no hydrogen 2.915 N/A MET 136.A N.B MET 132.A O no hydrogen 2.912 N/A GLY 137.A N GLY 133.A O no hydrogen 2.846 N/A LEU 138.A N THR 134.A O no hydrogen 2.969 N/A VAL 140.A N MET 136.A O.A no hydrogen 3.057 N/A VAL 140.A N MET 136.A O.B no hydrogen 3.073 N/A THR 141.A N GLY 137.A O no hydrogen 2.873 N/A THR 141.A OG1 GLY 137.A O no hydrogen 2.767 N/A ALA 142.A N LEU 138.A O no hydrogen 2.966 N/A SER 143.A N PRO 139.A O no hydrogen 2.927 N/A SER 143.A N VAL 140.A O no hydrogen 3.134 N/A SER 143.A OG PRO 139.A O no hydrogen 2.661 N/A ASP 144.A N VAL 140.A O no hydrogen 2.788 N/A LYS 145.A NZ ALA 142.A O no hydrogen 2.787 N/A ARG 146.A N ASP 144.A OD1 no hydrogen 2.990 N/A ARG 146.A NE ASP 144.A OD1 no hydrogen 3.015 N/A ARG 146.A NE ASP 144.A OD2 no hydrogen 3.252 N/A ARG 146.A NH1 ASP 114.A OD1 no hydrogen 2.760 N/A ARG 146.A NH1 GLU 117.A OE1 no hydrogen 3.133 N/A ARG 146.A NH2 ASP 114.A OD1 no hydrogen 3.075 N/A ARG 146.A NH2 ASP 144.A OD2 no hydrogen 2.791 N/A ILE 147.A N ASP 144.A O no hydrogen 3.055 N/A LYS 148.A N THR 125.A O no hydrogen 2.807 N/A ALA 150.A N PRO 175.A O no hydrogen 2.999 N/A LEU 151.A N TRP 127.A O no hydrogen 2.804 N/A LEU 152.A N ARG 177.A O no hydrogen 2.969 N/A GLY 153.A N THR 134.A OG1 no hydrogen 2.795 N/A LEU 154.A N LEU 179.A O no hydrogen 2.821 N/A VAL 157.A N SER 191.A O no hydrogen 3.231 N/A GLY 159.A N GLY 156.A O no hydrogen 3.506 N/A ASN 161.A ND2 THR 102.A OG1 no hydrogen 3.074 N/A ASN 161.A ND2 MET 135.A O no hydrogen 2.992 N/A GLY 162.A N GLY 159.A O no hydrogen 2.924 N/A LEU 165.A N ASN 161.A O no hydrogen 2.989 N/A VAL 166.A N GLY 162.A O no hydrogen 2.943 N/A ARG 167.A N GLU 163.A O no hydrogen 3.037 N/A ARG 167.A NH2 ASP 164.A OD1 no hydrogen 3.008 N/A LEU 168.A N ASP 164.A O no hydrogen 2.862 N/A ALA 169.A N LEU 165.A O no hydrogen 2.812 N/A GLN 171.A N LEU 168.A O no hydrogen 2.839 N/A GLN 171.A NE2 ARG 167.A O no hydrogen 3.471 N/A VAL 172.A N ALA 169.A O no hydrogen 2.965 N/A CYS 174.A SG ILE 147.A O no hydrogen 3.878 N/A CYS 174.A SG PRO 175.A O no hydrogen 3.626 N/A VAL 176.A N GLN 203.A O.A no hydrogen 3.051 N/A VAL 176.A N GLN 203.A O.B no hydrogen 2.907 N/A ARG 177.A N ALA 150.A O no hydrogen 3.054 N/A TYR 178.A N THR 205.A O.A no hydrogen 2.905 N/A TYR 178.A N THR 205.A O.B no hydrogen 2.860 N/A TYR 178.A OH MET 155.A O no hydrogen 2.707 N/A LEU 179.A N LEU 152.A O no hydrogen 2.921 N/A LEU 180.A N HIS 207.A O no hydrogen 2.932 N/A GLN 181.A NE2 PRO 210.A O no hydrogen 3.062 N/A GLN 181.A NE2 LYS 212.A O no hydrogen 2.968 N/A TRP 182.A N ASN 209.A O no hydrogen 2.791 N/A ASP 183.A N GLY 211.A O no hydrogen 2.968 N/A ASP 184.A N GLN 181.A O no hydrogen 3.261 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.590 N/A LEU 186.A N ASP 184.A OD1 no hydrogen 2.815 N/A VAL 187.A N ASP 184.A OD1 no hydrogen 2.986 N/A SER 191.A N SER 188.A OG no hydrogen 3.054 N/A SER 191.A OG SER 188.A O no hydrogen 2.953 N/A SER 191.A OG SER 188.A OG no hydrogen 3.263 N/A GLY 192.A N SER 188.A O no hydrogen 2.997 N/A LEU 193.A N LEU 189.A O no hydrogen 2.860 N/A GLU 194.A N GLN 190.A O no hydrogen 2.973 N/A LEU 195.A N SER 191.A O no hydrogen 3.257 N/A PHE 196.A N GLY 192.A O no hydrogen 3.021 N/A GLY 197.A N LEU 193.A O no hydrogen 2.895 N/A LYS 198.A N GLU 194.A O no hydrogen 3.249 N/A LYS 198.A N LEU 195.A O no hydrogen 3.056 N/A LEU 199.A N PHE 196.A O no hydrogen 3.210 N/A GLY 200.A N ALA 169.A O no hydrogen 2.957 N/A THR 201.A OG1 CYS 174.A O no hydrogen 2.997 N/A GLN 203.A N.A THR 201.A OG1 no hydrogen 2.950 N/A GLN 203.A N.B THR 201.A OG1 no hydrogen 2.959 N/A LYS 204.A NZ PHE 196.A O no hydrogen 2.952 N/A LYS 204.A NZ LEU 199.A O no hydrogen 2.888 N/A THR 205.A N.A VAL 176.A O no hydrogen 3.007 N/A THR 205.A N.B VAL 176.A O no hydrogen 2.955 N/A HIS 207.A N TYR 178.A O no hydrogen 2.833 N/A HIS 207.A ND1 GLU 220.A OE2 no hydrogen 2.813 N/A ASN 209.A N LEU 180.A O no hydrogen 3.150 N/A ASN 209.A ND2 GLU 220.A OE1 no hydrogen 3.018 N/A GLY 211.A N ASP 183.A OD2 no hydrogen 2.856 N/A HIS 213.A N GLU 185.A OE1 no hydrogen 2.830 N/A HIS 213.A ND1 ASP 184.A OD1 no hydrogen 3.114 N/A HIS 213.A ND1 ASP 184.A OD2 no hydrogen 2.649 N/A HIS 213.A NE2 ASP 85.A OD2 no hydrogen 2.797 N/A ALA 215.A N LYS 212.A O no hydrogen 3.070 N/A GLU 220.A N PRO 217.A O no hydrogen 3.006 N/A MET 221.A N.A PRO 217.A O no hydrogen 2.985 N/A MET 221.A N.B PRO 217.A O no hydrogen 2.916 N/A PHE 222.A N THR 218.A O no hydrogen 2.881 N/A GLY 224.A N TRP 219.A O no hydrogen 2.877 N/A THR 225.A N GLU 220.A O no hydrogen 3.195 N/A THR 225.A OG1 MET 221.A O.A no hydrogen 2.555 N/A THR 225.A OG1 MET 221.A O.B no hydrogen 2.803 N/A THR 225.A OG1 PHE 222.A O no hydrogen 3.294 N/A VAL 226.A N PHE 222.A O no hydrogen 2.990 N/A ASP 227.A N ALA 223.A O no hydrogen 2.858 N/A TYR 228.A N GLY 224.A O no hydrogen 2.998 N/A LEU 229.A N THR 225.A O no hydrogen 2.997 N/A ASP 230.A N VAL 226.A O no hydrogen 2.847 N/A GLN 231.A N ASP 227.A O no hydrogen 2.928 N/A ARG 232.A N TYR 228.A O no hydrogen 3.013 N/A ARG 232.A NH1 GLN 231.A OE1 no hydrogen 3.324 N/A LEU 233.A N LEU 229.A O no hydrogen 2.871 N/A LYS 234.A NZ LEU 233.A O no hydrogen 3.315 N/A