Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xxa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N LEU 231.A O no hydrogen 3.020 N/A VAL 4.A N SER 229.A O no hydrogen 3.021 N/A SER 5.A OG PHE 227.A O no hydrogen 3.431 N/A PHE 6.A N PHE 227.A O no hydrogen 3.004 N/A PHE 8.A N TRP 225.A O no hydrogen 2.834 N/A PHE 11.A N GLY 30.A O no hydrogen 2.934 N/A ILE 18.A N PRO 15.A O no hydrogen 3.424 N/A ILE 19.A N LEU 51.A O no hydrogen 2.699 N/A GLN 21.A N ARG 49.A O no hydrogen 2.904 N/A GLN 21.A NE2 THR 98.A O no hydrogen 3.100 N/A ASP 23.A N LEU 47.A O no hydrogen 2.711 N/A ALA 24.A N GLN 21.A O no hydrogen 3.338 N/A LEU 25.A N GLN 33.A O no hydrogen 3.016 N/A THR 27.A N LYS 31.A O no hydrogen 2.781 N/A LYS 29.A N THR 27.A OG1 no hydrogen 3.252 N/A GLY 30.A N THR 27.A O no hydrogen 2.811 N/A LYS 31.A N THR 27.A OG1 no hydrogen 3.296 N/A LEU 32.A N VAL 222.A O no hydrogen 2.916 N/A GLN 33.A N LEU 25.A O no hydrogen 2.737 N/A LEU 34.A N HIS 220.A O no hydrogen 3.056 N/A THR 35.A OG1 HIS 220.A ND1 no hydrogen 2.791 N/A LYS 36.A N SER 46.A OG no hydrogen 2.918 N/A LYS 38.A N LYS 41.A O no hydrogen 2.998 N/A LYS 41.A N LYS 38.A O no hydrogen 2.710 N/A VAL 43.A N LYS 36.A O no hydrogen 3.074 N/A HIS 45.A N GLY 211.A O no hydrogen 2.817 N/A HIS 45.A ND1 ASP 44.A OD2 no hydrogen 2.794 N/A SER 46.A N SER 210.A OG no hydrogen 3.038 N/A SER 46.A OG ASP 23.A OD2 no hydrogen 2.549 N/A LEU 47.A N ASP 23.A OD2 no hydrogen 3.262 N/A GLY 48.A N ALA 208.A O no hydrogen 3.064 N/A ARG 49.A N GLN 21.A O no hydrogen 2.965 N/A ARG 49.A NE GLN 21.A OE1 no hydrogen 2.895 N/A ARG 49.A NH1 GLY 108.A O no hydrogen 2.905 N/A ARG 49.A NH2 GLN 21.A OE1 no hydrogen 2.889 N/A ARG 49.A NH2 THR 98.A OG1 no hydrogen 2.865 N/A ALA 50.A N PHE 206.A O no hydrogen 2.934 N/A LEU 51.A N ILE 19.A O no hydrogen 2.888 N/A TYR 52.A N VAL 204.A O no hydrogen 2.964 N/A ALA 53.A N ASP 17.A O no hydrogen 2.815 N/A ILE 56.A N VAL 202.A O no hydrogen 2.745 N/A HIS 57.A ND1 GLU 2.A OE1 no hydrogen 2.839 N/A HIS 57.A NE2 GLU 200.A OE1 no hydrogen 3.007 N/A ILE 58.A N GLU 200.A O no hydrogen 2.815 N/A TRP 59.A N GLU 200.A O no hydrogen 3.457 N/A TRP 59.A NE1 LEU 198.A O no hydrogen 2.821 N/A ASP 60.A N ARG 65.A O no hydrogen 3.052 N/A ASP 61.A N GLU 200.A OE2 no hydrogen 3.362 N/A SER 62.A OG ASP 60.A OD1 no hydrogen 2.531 N/A SER 62.A OG ASP 60.A OD2 no hydrogen 3.396 N/A THR 63.A N ASP 60.A O no hydrogen 3.210 N/A THR 63.A OG1 ASP 60.A OD2 no hydrogen 3.027 N/A ASP 64.A N ASP 61.A O no hydrogen 3.183 N/A ARG 65.A N ASP 60.A O no hydrogen 3.216 N/A ARG 65.A NE THR 63.A OG1 no hydrogen 2.727 N/A ARG 65.A NH1 GLU 2.A OE2 no hydrogen 3.351 N/A ARG 65.A NH1 LEU 231.A O no hydrogen 3.253 N/A ARG 65.A NH2 GLU 2.A OE2 no hydrogen 2.955 N/A ARG 65.A NH2 ASP 60.A OD2 no hydrogen 2.773 N/A ALA 67.A N ILE 58.A O no hydrogen 2.723 N/A SER 68.A N THR 230.A O no hydrogen 3.042 N/A PHE 69.A N TYR 166.A O no hydrogen 3.106 N/A ALA 70.A N THR 228.A O no hydrogen 2.980 N/A THR 71.A N ILE 164.A O no hydrogen 2.806 N/A THR 71.A OG1 SER 226.A O no hydrogen 2.605 N/A SER 72.A N SER 226.A O no hydrogen 2.951 N/A SER 72.A OG SER 226.A OG no hydrogen 2.786 N/A PHE 73.A N VAL 162.A O no hydrogen 3.022 N/A SER 74.A N ASP 224.A OD1 no hydrogen 2.786 N/A SER 74.A OG ASP 224.A OD1 no hydrogen 2.909 N/A SER 74.A OG ASP 224.A OD2 no hydrogen 2.958 N/A PHE 75.A N ALA 160.A O no hydrogen 2.925 N/A VAL 76.A N ASP 221.A O no hydrogen 2.918 N/A GLU 78.A N THR 219.A OG1 no hydrogen 2.785 N/A ALA 79.A N ASN 156.A OD1 no hydrogen 2.792 N/A SER 83.A N ASP 81.A OD1 no hydrogen 2.960 N/A SER 83.A OG ASP 81.A OD1 no hydrogen 2.937 N/A LYS 84.A N ASP 81.A O no hydrogen 2.978 N/A LYS 84.A NZ ASP 215.A OD2 no hydrogen 3.371 N/A THR 85.A OG1 THR 125.A O no hydrogen 2.767 N/A ASP 87.A N THR 209.A O no hydrogen 2.864 N/A GLY 88.A N THR 209.A O no hydrogen 3.302 N/A ILE 89.A N PHE 123.A O no hydrogen 3.041 N/A ALA 90.A N SER 207.A O no hydrogen 2.858 N/A PHE 91.A N VAL 121.A O no hydrogen 2.914 N/A PHE 92.A N GLY 205.A O no hydrogen 2.835 N/A LEU 93.A N VAL 119.A O no hydrogen 2.971 N/A ALA 94.A N ARG 203.A O no hydrogen 3.238 N/A THR 98.A N PRO 95.A O no hydrogen 2.853 N/A GLN 101.A N GLY 108.A O no hydrogen 3.024 N/A GLN 101.A NE2 GLN 99.A O no hydrogen 3.128 N/A PHE 106.A N ASP 103.A O no hydrogen 3.230 N/A LEU 107.A N GLY 104.A O no hydrogen 2.990 N/A GLY 108.A N LYS 102.A O no hydrogen 2.771 N/A LEU 109.A N PHE 106.A O no hydrogen 2.987 N/A PHE 110.A N PHE 106.A O no hydrogen 3.186 N/A THR 118.A N ASN 142.A OD1 no hydrogen 2.766 N/A THR 118.A OG1 GLN 117.A O no hydrogen 2.692 N/A VAL 119.A N LEU 93.A O no hydrogen 2.954 N/A ALA 120.A N ASN 140.A O no hydrogen 2.900 N/A VAL 121.A N PHE 91.A O no hydrogen 2.854 N/A GLU 122.A N GLY 138.A O no hydrogen 2.862 N/A PHE 123.A N ILE 89.A O no hydrogen 2.748 N/A ASP 124.A N HIS 136.A O no hydrogen 2.986 N/A THR 125.A N ASP 87.A O no hydrogen 3.082 N/A THR 125.A OG1 GLU 218.A OE1 no hydrogen 3.491 N/A THR 125.A OG1 GLU 218.A OE2 no hydrogen 2.739 N/A PHE 126.A N ASP 124.A OD1 no hydrogen 2.983 N/A SER 127.A OG PRO 132.A O no hydrogen 2.480 N/A ASN 128.A N ASP 131.A OD2 no hydrogen 3.032 N/A ASN 128.A ND2 ASP 131.A OD2 no hydrogen 3.346 N/A ASP 131.A N ASN 128.A O no hydrogen 3.033 N/A ARG 135.A NE THR 85.A OG1 no hydrogen 3.158 N/A ARG 135.A NH2 GLU 82.A O no hydrogen 2.819 N/A ARG 135.A NH2 THR 85.A OG1 no hydrogen 2.866 N/A HIS 136.A N ASP 124.A O no hydrogen 3.154 N/A HIS 136.A ND1 ALA 134.A O no hydrogen 3.013 N/A ILE 137.A N VAL 150.A O no hydrogen 2.922 N/A GLY 138.A N GLU 122.A O no hydrogen 2.956 N/A ILE 139.A N LYS 148.A O no hydrogen 2.936 N/A ASN 140.A N ALA 120.A O no hydrogen 2.930 N/A ASN 140.A ND2 SER 146.A OG no hydrogen 2.515 N/A ASN 142.A N THR 118.A O no hydrogen 2.873 N/A ASN 142.A ND2 ALA 197.A O no hydrogen 3.311 N/A GLU 145.A N SER 143.A OG no hydrogen 2.987 N/A SER 146.A OG GLU 122.A OE2 no hydrogen 3.509 N/A MET 147.A N ILE 139.A O no hydrogen 2.731 N/A LYS 148.A NZ SER 189.A O no hydrogen 2.803 N/A VAL 150.A N ILE 137.A O no hydrogen 2.922 N/A TRP 152.A N ARG 135.A O no hydrogen 2.912 N/A TRP 152.A NE1 TYR 179.A OH no hydrogen 3.112 N/A TRP 154.A NE1 VAL 77.A O no hydrogen 3.131 N/A GLU 155.A N TYR 179.A OH no hydrogen 3.067 N/A ASN 156.A ND2 ALA 79.A O no hydrogen 3.120 N/A ASN 156.A ND2 GLU 82.A OE2 no hydrogen 3.032 N/A GLY 157.A N VAL 77.A O no hydrogen 2.954 N/A LYS 158.A N GLU 155.A O no hydrogen 3.125 N/A ALA 160.A N PHE 75.A O no hydrogen 2.859 N/A ASN 161.A N THR 178.A O no hydrogen 2.718 N/A VAL 162.A N PHE 73.A O no hydrogen 2.750 N/A TYR 163.A N SER 176.A O no hydrogen 3.002 N/A ILE 164.A N THR 71.A O no hydrogen 2.830 N/A SER 165.A N THR 174.A O no hydrogen 2.908 N/A TYR 166.A N PHE 69.A O no hydrogen 2.861 N/A TYR 166.A OH VAL 192.A O no hydrogen 2.838 N/A GLU 167.A N THR 172.A O no hydrogen 2.890 N/A ALA 168.A N SER 68.A OG no hydrogen 3.086 N/A THR 170.A N GLU 167.A O no hydrogen 3.355 N/A THR 170.A OG1 GLU 167.A O no hydrogen 3.482 N/A THR 170.A OG1 GLU 167.A OE1 no hydrogen 2.505 N/A THR 170.A OG1 THR 172.A OG1 no hydrogen 2.845 N/A LYS 171.A N ALA 168.A O no hydrogen 3.456 N/A LYS 171.A NZ ASP 193.A OD1 no hydrogen 3.422 N/A THR 172.A N GLU 167.A O no hydrogen 3.216 N/A THR 172.A OG1 THR 170.A O no hydrogen 3.335 N/A THR 172.A OG1 THR 170.A OG1 no hydrogen 2.845 N/A LEU 173.A N ALA 190.A O no hydrogen 2.953 N/A THR 174.A N SER 165.A O no hydrogen 2.836 N/A THR 174.A OG1 SER 189.A OG no hydrogen 2.772 N/A ALA 175.A N VAL 188.A O no hydrogen 2.883 N/A SER 176.A N TYR 163.A O no hydrogen 2.866 N/A SER 176.A OG TYR 163.A O no hydrogen 3.481 N/A LEU 177.A N TYR 186.A O no hydrogen 2.933 N/A THR 178.A N ASN 161.A O no hydrogen 2.839 N/A THR 178.A OG1 SER 185.A OG no hydrogen 2.695 N/A TYR 179.A N THR 184.A O no hydrogen 2.864 N/A ASN 182.A ND2 GLU 155.A OE2 no hydrogen 2.664 N/A THR 184.A N TYR 179.A O no hydrogen 3.359 N/A THR 184.A OG1 GLU 155.A OE2 no hydrogen 3.186 N/A SER 185.A OG THR 178.A OG1 no hydrogen 2.695 N/A TYR 186.A N LEU 177.A O no hydrogen 2.933 N/A VAL 188.A N ALA 175.A O no hydrogen 2.948 N/A SER 189.A OG THR 174.A OG1 no hydrogen 2.772 N/A ALA 190.A N LEU 173.A O no hydrogen 2.878 N/A VAL 192.A N LYS 171.A O no hydrogen 2.863 N/A LEU 194.A N TYR 166.A OH no hydrogen 3.523 N/A SER 196.A N ASP 193.A O no hydrogen 3.147 N/A SER 196.A OG ASP 193.A O no hydrogen 3.175 N/A SER 196.A OG ASP 193.A OD2 no hydrogen 2.910 N/A ALA 197.A N ASP 193.A O no hydrogen 3.202 N/A ALA 197.A N LEU 194.A O no hydrogen 3.225 N/A LEU 198.A N LEU 194.A O no hydrogen 2.979 N/A VAL 202.A N ILE 56.A O no hydrogen 2.972 N/A ARG 203.A N ALA 94.A O no hydrogen 2.763 N/A ARG 203.A NE ALA 53.A O no hydrogen 3.036 N/A ARG 203.A NH1 PRO 96.A O no hydrogen 2.629 N/A ARG 203.A NH2 ALA 53.A O no hydrogen 2.867 N/A GLY 205.A N PHE 92.A O no hydrogen 2.984 N/A PHE 206.A N ALA 50.A O no hydrogen 2.889 N/A SER 207.A N ALA 90.A O no hydrogen 3.032 N/A SER 207.A OG LEU 107.A O no hydrogen 2.617 N/A ALA 208.A N GLY 48.A O no hydrogen 2.990 N/A THR 209.A N GLY 88.A O no hydrogen 3.106 N/A THR 209.A OG1 GLY 104.A O no hydrogen 2.710 N/A SER 210.A N SER 46.A O no hydrogen 3.148 N/A SER 210.A OG VAL 43.A O no hydrogen 2.532 N/A HIS 216.A N SER 213.A O no hydrogen 3.223 N/A HIS 216.A ND1 ASP 215.A OD1 no hydrogen 2.723 N/A THR 219.A N GLU 78.A O no hydrogen 2.893 N/A THR 219.A OG1 GLU 78.A O no hydrogen 3.287 N/A HIS 220.A ND1 THR 35.A OG1 no hydrogen 2.791 N/A HIS 220.A NE2 GLU 218.A OE2 no hydrogen 2.844 N/A ASP 221.A N VAL 76.A O no hydrogen 2.942 N/A VAL 222.A N LEU 32.A O no hydrogen 2.820 N/A LEU 223.A N SER 74.A O no hydrogen 2.780 N/A TRP 225.A N PHE 8.A O no hydrogen 3.074 N/A TRP 225.A NE1 THR 71.A OG1 no hydrogen 2.860 N/A SER 226.A N SER 72.A O no hydrogen 2.908 N/A SER 226.A OG SER 72.A OG no hydrogen 2.786 N/A PHE 227.A N PHE 6.A O no hydrogen 2.862 N/A THR 228.A N ALA 70.A O no hydrogen 2.895 N/A SER 229.A N VAL 4.A O no hydrogen 2.903 N/A THR 230.A N SER 68.A O no hydrogen 2.964 N/A LEU 231.A N GLU 2.A O no hydrogen 2.893 N/A