Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4raw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N ALA 43.A O no hydrogen 2.740 N/A THR 5.A OG1 PHE 41.A O no hydrogen 2.677 N/A ILE 6.A N ALA 43.A O no hydrogen 3.146 N/A GLN 8.A N GLN 8.A OE1 no hydrogen 2.865 N/A GLN 8.A NE2 ASN 47.A OD1 no hydrogen 2.921 N/A GLN 9.A NE2 PRO 4.A O no hydrogen 3.129 N/A GLN 9.A NE2 GLY 7.A O no hydrogen 3.586 N/A GLU 11.A N.A ASP 14.A OD2 no hydrogen 2.777 N/A GLU 11.A N.B ASP 14.A OD2 no hydrogen 2.607 N/A THR 12.A N.A GLU 11.A OE2.B no hydrogen 3.376 N/A ASP 14.A N GLU 11.A O.A no hydrogen 3.161 N/A ASP 14.A N GLU 11.A O.B no hydrogen 2.980 N/A GLN 15.A N PHE 22.A O no hydrogen 2.803 N/A GLN 15.A NE2 GLU 79.A OE2 no hydrogen 3.220 N/A ARG 16.A NE GLY 18.A O no hydrogen 2.701 N/A PHE 17.A N LEU 20.A O no hydrogen 2.883 N/A ASP 19.A N GLN 71.A OE1 no hydrogen 2.968 N/A LEU 20.A N PHE 17.A O no hydrogen 2.888 N/A VAL 21.A N THR 33.A O no hydrogen 3.000 N/A PHE 22.A N GLN 15.A O no hydrogen 2.877 N/A ARG 23.A N GLN 31.A O no hydrogen 3.025 N/A ARG 23.A NH1 THR 12.A O.A no hydrogen 3.119 N/A ARG 23.A NH1 ASP 14.A OD1 no hydrogen 2.972 N/A GLN 24.A NE2 ALA 26.A O no hydrogen 3.173 N/A GLN 24.A NE2 PRO 27.A O no hydrogen 3.319 N/A LEU 25.A N VAL 29.A O no hydrogen 2.814 N/A ALA 26.A N VAL 29.A O no hydrogen 3.169 N/A VAL 29.A N ALA 26.A O no hydrogen 3.194 N/A TRP 30.A N ILE 50.A O no hydrogen 2.850 N/A GLN 31.A N ARG 23.A O no hydrogen 2.774 N/A HIS 32.A N GLY 48.A O no hydrogen 2.926 N/A HIS 32.A NE2 VAL 60.A O no hydrogen 3.152 N/A HIS 32.A NE2 ASP 61.A O no hydrogen 2.956 N/A THR 33.A N VAL 21.A O no hydrogen 2.815 N/A THR 33.A OG1 ASN 47.A OD1 no hydrogen 2.708 N/A SER 34.A N SER 46.A O no hydrogen 3.011 N/A SER 34.A OG GLN 68.A OE1 no hydrogen 3.548 N/A LEU 36.A N VAL 44.A O no hydrogen 2.970 N/A VAL 38.A N GLY 42.A O no hydrogen 2.941 N/A PHE 41.A N VAL 38.A O no hydrogen 2.884 N/A GLY 42.A N VAL 38.A O no hydrogen 2.908 N/A VAL 44.A N LEU 36.A O no hydrogen 2.835 N/A ALA 45.A N ILE 6.A O no hydrogen 2.825 N/A SER 46.A N SER 34.A O no hydrogen 2.861 N/A SER 46.A OG ASP 95.A O no hydrogen 3.551 N/A ASN 47.A N SER 220.A O no hydrogen 2.727 N/A ASN 47.A ND2 GLN 8.A OE1 no hydrogen 3.126 N/A ASN 47.A ND2 MET 219.A O no hydrogen 3.046 N/A GLY 48.A N HIS 32.A O no hydrogen 2.879 N/A LEU 49.A N VAL 60.A O no hydrogen 2.911 N/A ILE 50.A N TRP 30.A O no hydrogen 2.808 N/A VAL 51.A N LEU 58.A O no hydrogen 2.821 N/A ARG 52.A N ASN 28.A O no hydrogen 2.871 N/A ARG 52.A NE GLY 54.A O no hydrogen 2.803 N/A ARG 52.A NH2 GLY 54.A O no hydrogen 3.541 N/A ASP 53.A N ARG 56.A O no hydrogen 2.855 N/A ARG 56.A N ASP 53.A O no hydrogen 3.418 N/A ARG 56.A NE ASP 53.A OD2 no hydrogen 3.008 N/A ARG 56.A NH1 ASN 147.A O.A no hydrogen 3.033 N/A ARG 56.A NH1 ASN 147.A O.B no hydrogen 3.028 N/A ARG 56.A NH2 ASP 53.A OD2 no hydrogen 2.850 N/A ARG 56.A NH2 ASN 147.A O.A no hydrogen 2.832 N/A ARG 56.A NH2 ASN 147.A O.B no hydrogen 2.829 N/A VAL 57.A N PRO 83.A O no hydrogen 2.841 N/A LEU 58.A N VAL 51.A O no hydrogen 2.783 N/A VAL 59.A N LEU 86.A O no hydrogen 3.061 N/A VAL 60.A N LEU 49.A O no hydrogen 2.849 N/A ASP 61.A N VAL 88.A O.A no hydrogen 2.764 N/A ASP 61.A N VAL 88.A O.B no hydrogen 2.893 N/A THR 62.A N LYS 96.A O no hydrogen 2.998 N/A THR 62.A OG1 ALA 63.A O no hydrogen 2.706 N/A ALA 63.A N THR 69.A OG1 no hydrogen 3.059 N/A TRP 64.A N SER 34.A OG no hydrogen 3.350 N/A GLN 68.A N THR 65.A OG1 no hydrogen 3.091 N/A GLN 68.A NE2 TYR 35.A O no hydrogen 2.903 N/A THR 69.A N THR 65.A O no hydrogen 2.973 N/A THR 69.A OG1 THR 65.A O no hydrogen 2.811 N/A ALA 70.A N ASP 66.A O no hydrogen 2.842 N/A GLN 71.A N ASP 67.A O no hydrogen 3.019 N/A GLN 71.A NE2 ASP 19.A OD2 no hydrogen 3.036 N/A GLN 71.A NE2 ASP 67.A OD2 no hydrogen 2.968 N/A ILE 72.A N GLN 68.A O no hydrogen 3.020 N/A LEU 73.A N THR 69.A O no hydrogen 3.117 N/A ASN 74.A N ALA 70.A O no hydrogen 2.923 N/A TRP 75.A N GLN 71.A O no hydrogen 2.872 N/A TRP 75.A NE1 GLN 15.A OE1 no hydrogen 2.934 N/A ILE 76.A N ILE 72.A O no hydrogen 2.930 N/A LYS 77.A N LEU 73.A O no hydrogen 2.957 N/A LYS 77.A NZ ASN 81.A OD1 no hydrogen 2.869 N/A GLN 78.A N.A ASN 74.A O no hydrogen 2.941 N/A GLN 78.A N.B ASN 74.A O no hydrogen 2.908 N/A GLN 78.A NE2.A GLU 79.A OE2 no hydrogen 2.907 N/A GLU 79.A N TRP 75.A O no hydrogen 2.806 N/A ILE 80.A N ILE 76.A O no hydrogen 2.837 N/A ASN 81.A N ILE 76.A O no hydrogen 2.811 N/A ALA 85.A N VAL 57.A O no hydrogen 2.820 N/A ALA 87.A N ALA 109.A O no hydrogen 2.948 N/A VAL 88.A N.A VAL 59.A O no hydrogen 2.842 N/A VAL 88.A N.B VAL 59.A O no hydrogen 2.859 N/A VAL 89.A N TYR 111.A O no hydrogen 3.013 N/A THR 90.A N ASP 61.A OD1 no hydrogen 2.848 N/A THR 90.A OG1 ASP 61.A OD1 no hydrogen 2.937 N/A THR 90.A OG1 ASP 61.A OD2 no hydrogen 3.136 N/A ALA 92.A N ASP 163.A OD2 no hydrogen 3.001 N/A HIS 93.A N HIS 91.A O no hydrogen 3.040 N/A HIS 93.A NE2 ASP 194.A OD2 no hydrogen 2.754 N/A LYS 96.A N HIS 93.A O no hydrogen 3.035 N/A LYS 96.A NZ ASP 61.A OD2 no hydrogen 2.816 N/A LYS 96.A NZ SER 220.A OG no hydrogen 2.873 N/A MET 97.A N HIS 93.A O no hydrogen 2.917 N/A GLY 98.A N GLN 94.A O no hydrogen 2.876 N/A GLY 99.A N THR 62.A OG1 no hydrogen 2.967 N/A MET 100.A N.A MET 97.A O no hydrogen 3.394 N/A MET 100.A N.B MET 97.A O no hydrogen 3.389 N/A ALA 102.A N GLY 99.A O no hydrogen 3.085 N/A LEU 103.A N GLY 99.A O no hydrogen 3.478 N/A HIS 104.A N MET 100.A O.A no hydrogen 2.990 N/A HIS 104.A N MET 100.A O.B no hydrogen 3.056 N/A HIS 104.A NE2 THR 110.A OG1 no hydrogen 2.706 N/A ALA 105.A N ASP 101.A O no hydrogen 2.903 N/A ALA 106.A N ALA 102.A O no hydrogen 3.146 N/A GLY 107.A N HIS 104.A O no hydrogen 2.918 N/A ILE 108.A N LEU 103.A O no hydrogen 3.064 N/A THR 110.A OG1 HIS 104.A NE2 no hydrogen 2.706 N/A TYR 111.A N ALA 87.A O no hydrogen 2.871 N/A ALA 112.A N HIS 130.A O no hydrogen 3.163 N/A ASN 113.A ND2 ASP 163.A O no hydrogen 3.019 N/A ALA 114.A N LEU 132.A O no hydrogen 2.852 N/A LEU 115.A N ASN 113.A OD1 no hydrogen 3.089 N/A SER 116.A OG ASP 163.A OD2 no hydrogen 2.607 N/A ASN 117.A N ASN 113.A O no hydrogen 3.058 N/A ASN 117.A ND2 HIS 130.A O no hydrogen 3.149 N/A ASN 117.A ND2 SER 131.A OG no hydrogen 2.958 N/A GLN 118.A N ALA 114.A O no hydrogen 2.953 N/A LEU 119.A N LEU 115.A O no hydrogen 2.850 N/A ALA 120.A N SER 116.A O no hydrogen 2.865 N/A GLN 122.A N.A LEU 119.A O no hydrogen 2.941 N/A GLN 122.A N.B LEU 119.A O no hydrogen 3.001 N/A GLN 122.A N.B GLN 122.A OE1.B no hydrogen 3.037 N/A GLN 122.A NE2.A GLN 118.A O no hydrogen 2.999 N/A GLU 123.A N ALA 120.A O no hydrogen 2.931 N/A GLY 124.A N PRO 121.A O no hydrogen 3.467 N/A MET 125.A N ALA 120.A O no hydrogen 2.885 N/A ALA 128.A N ASN 117.A OD1 no hydrogen 2.875 N/A GLN 129.A N THR 110.A OG1 no hydrogen 2.878 N/A HIS 130.A N THR 110.A O no hydrogen 2.939 N/A LEU 132.A N ALA 112.A O no hydrogen 2.769 N/A THR 133.A N THR 144.A OG1 no hydrogen 3.241 N/A ALA 135.A N TRP 139.A O no hydrogen 2.890 N/A GLY 138.A N ALA 135.A O no hydrogen 2.980 N/A TRP 139.A N ASN 137.A OD1 no hydrogen 3.228 N/A VAL 140.A N VAL 153.A O no hydrogen 3.170 N/A GLU 141.A N THR 133.A O no hydrogen 2.815 N/A THR 144.A N GLU 141.A O no hydrogen 2.918 N/A THR 144.A OG1 GLU 141.A O no hydrogen 2.853 N/A ALA 145.A N PRO 142.A O no hydrogen 3.013 N/A LEU 151.A N PHE 148.A O no hydrogen 2.988 N/A LYS 152.A N GLY 168.A O no hydrogen 2.896 N/A LYS 152.A NZ GLY 149.A O no hydrogen 3.546 N/A PHE 154.A N THR 166.A O no hydrogen 2.933 N/A TYR 155.A N GLY 138.A O no hydrogen 2.754 N/A TYR 155.A OH SER 162.A O no hydrogen 2.697 N/A GLY 159.A N THR 161.A O no hydrogen 2.962 N/A THR 161.A OG1 ASP 163.A OD1 no hydrogen 2.760 N/A ILE 165.A N THR 90.A O no hydrogen 2.946 N/A THR 166.A N PHE 154.A O no hydrogen 2.880 N/A THR 166.A OG1 PHE 154.A O no hydrogen 2.869 N/A VAL 167.A N PHE 176.A O no hydrogen 3.036 N/A GLY 168.A N LYS 152.A O no hydrogen 2.905 N/A ILE 169.A N ILE 174.A O no hydrogen 2.999 N/A ASP 170.A N PRO 150.A O no hydrogen 2.773 N/A THR 172.A N ILE 169.A O no hydrogen 3.177 N/A THR 172.A OG1 ILE 169.A O no hydrogen 2.750 N/A ILE 174.A N THR 172.A OG1 no hydrogen 2.987 N/A ALA 175.A N MET 216.A O no hydrogen 3.044 N/A PHE 176.A N VAL 167.A O no hydrogen 2.725 N/A GLY 177.A N VAL 218.A O no hydrogen 2.817 N/A CYS 179.A SG ASP 95.A OD2 no hydrogen 3.362 N/A CYS 179.A SG SER 220.A OG no hydrogen 3.180 N/A CYS 179.A SG HIS 221.A NE2 no hydrogen 3.727 N/A LEU 180.A N GLY 177.A O no hydrogen 3.238 N/A LYS 182.A N THR 233.A OG1 no hydrogen 2.887 N/A LYS 182.A NZ CYS 179.A O no hydrogen 2.768 N/A LYS 182.A NZ LEU 189.A O no hydrogen 3.058 N/A SER 184.A N ASP 225.A OD2 no hydrogen 2.817 N/A SER 184.A OG ASP 225.A OD2 no hydrogen 2.745 N/A LYS 185.A N ASP 183.A OD1 no hydrogen 2.841 N/A LYS 185.A NZ SER 184.A OG no hydrogen 3.131 N/A ALA 186.A N ASP 183.A O no hydrogen 2.984 N/A GLY 190.A N SER 188.A OG no hydrogen 2.817 N/A GLY 193.A N ASN 191.A OD1 no hydrogen 2.934 N/A ALA 195.A N LEU 192.A O no hydrogen 2.997 N/A ASP 196.A N GLY 159.A O no hydrogen 2.880 N/A HIS 199.A N ASP 196.A OD1 no hydrogen 2.992 N/A HIS 199.A ND1 ASP 196.A OD2 no hydrogen 2.600 N/A TYR 200.A N ASP 196.A O no hydrogen 3.049 N/A TYR 200.A OH LEU 180.A O no hydrogen 2.735 N/A SER 203.A N HIS 199.A O no hydrogen 2.972 N/A SER 203.A OG PRO 156.A O no hydrogen 3.400 N/A SER 203.A OG PRO 158.A O no hydrogen 2.704 N/A SER 203.A OG HIS 199.A O no hydrogen 3.117 N/A ALA 204.A N TYR 200.A O no hydrogen 2.901 N/A ARG 205.A N ALA 201.A O no hydrogen 3.006 N/A ARG 205.A NH1 ASP 238.A OD1 no hydrogen 2.969 N/A ARG 205.A NH2 ASP 238.A OD2 no hydrogen 2.865 N/A ALA 206.A N ALA 202.A O no hydrogen 2.819 N/A PHE 207.A N SER 203.A O no hydrogen 3.069 N/A GLY 208.A N ALA 204.A O no hydrogen 3.286 N/A ALA 209.A N ARG 205.A O no hydrogen 2.956 N/A ALA 210.A N ALA 206.A O no hydrogen 2.864 N/A PHE 211.A N PHE 207.A O no hydrogen 3.299 N/A ALA 214.A N PHE 211.A O no hydrogen 3.163 N/A SER 215.A N ASP 173.A O no hydrogen 2.885 N/A SER 215.A OG ASP 173.A OD2 no hydrogen 2.879 N/A MET 216.A N ASP 173.A O no hydrogen 2.986 N/A ILE 217.A N ASP 225.A O no hydrogen 2.793 N/A VAL 218.A N ALA 175.A O no hydrogen 2.888 N/A SER 220.A N GLY 178.A O no hydrogen 3.008 N/A HIS 221.A ND1 ALA 45.A O no hydrogen 2.666 N/A SER 222.A OG ASP 183.A OD2 no hydrogen 2.597 N/A ASP 225.A N ILE 217.A O no hydrogen 2.872 N/A SER 226.A N ASP 225.A OD1 no hydrogen 2.803 N/A ARG 227.A NH1 PHE 211.A O no hydrogen 2.796 N/A ARG 227.A NH1 ALA 214.A O no hydrogen 2.827 N/A ARG 227.A NH2 GLY 208.A O no hydrogen 2.844 N/A ALA 228.A N SER 226.A OG no hydrogen 2.967 N/A ALA 229.A N SER 226.A O no hydrogen 3.031 N/A ILE 230.A N ARG 227.A O no hydrogen 2.902 N/A THR 231.A N ARG 227.A O no hydrogen 3.215 N/A THR 231.A OG1 ALA 228.A O no hydrogen 3.304 N/A HIS 232.A N ALA 228.A O no hydrogen 2.840 N/A HIS 232.A NE2 ALA 186.A O no hydrogen 2.784 N/A THR 233.A N ALA 229.A O no hydrogen 3.008 N/A THR 233.A OG1 LYS 182.A O no hydrogen 2.961 N/A THR 233.A OG1 ALA 229.A O no hydrogen 2.777 N/A ALA 234.A N ILE 230.A O no hydrogen 2.968 N/A ARG 235.A N THR 231.A O no hydrogen 2.957 N/A MET 236.A N HIS 232.A O no hydrogen 2.923 N/A ALA 237.A N THR 233.A O no hydrogen 2.895 N/A ASP 238.A N ALA 234.A O no hydrogen 2.836 N/A LYS 239.A N MET 236.A O no hydrogen 3.081 N/A LEU 240.A N ALA 237.A O no hydrogen 3.028 N/A ARG 241.A N ASP 238.A O no hydrogen 3.467 N/A ARG 241.A NE GLU 198.A O no hydrogen 3.028 N/A ARG 241.A NE GLU 198.A OE1 no hydrogen 3.284 N/A ARG 241.A NH2 GLU 198.A OE2 no hydrogen 2.790 N/A