Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6r2e_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 ARG 247.A O no hydrogen 2.778 N/A GLU 5.A N HIS 3.A ND1 no hydrogen 2.959 N/A LEU 6.A N HIS 3.A O no hydrogen 3.142 N/A GLN 7.A N GLY 4.A O no hydrogen 3.048 N/A GLN 7.A NE2 GLY 4.A O no hydrogen 3.405 N/A GLN 7.A NE2 ARG 38.A O no hydrogen 3.000 N/A TYR 8.A OH MET 192.A O no hydrogen 2.654 N/A LEU 9.A N GLU 5.A O no hydrogen 2.968 N/A GLY 10.A N LEU 6.A O no hydrogen 2.991 N/A GLN 11.A N GLN 7.A O no hydrogen 2.852 N/A ILE 12.A N TYR 8.A O no hydrogen 3.031 N/A GLN 13.A N LEU 9.A O no hydrogen 2.831 N/A HIS 14.A N GLY 10.A O no hydrogen 2.824 N/A ILE 15.A N GLN 11.A O no hydrogen 2.829 N/A LEU 16.A N ILE 12.A O no hydrogen 3.077 N/A ARG 17.A N GLN 13.A O no hydrogen 3.025 N/A VAL 19.A N SER 31.A O no hydrogen 2.915 N/A LYS 21.A N THR 29.A O no hydrogen 2.915 N/A ARG 24.A NH1 VAL 286.A O no hydrogen 2.885 N/A THR 25.A OG1 ASP 23.A OD1 no hydrogen 3.243 N/A THR 25.A OG1 ASP 23.A OD2 no hydrogen 3.120 N/A THR 25.A OG1 THR 27.A OG1 no hydrogen 3.093 N/A GLY 26.A N ASP 23.A O no hydrogen 3.092 N/A THR 27.A N ASP 23.A OD1 no hydrogen 3.174 N/A THR 27.A OG1 THR 25.A OG1 no hydrogen 3.093 N/A GLY 28.A N ASP 23.A OD1 no hydrogen 3.092 N/A THR 29.A N LYS 21.A O no hydrogen 2.860 N/A LEU 30.A N ILE 230.A O no hydrogen 2.779 N/A SER 31.A N VAL 19.A O no hydrogen 2.852 N/A VAL 32.A N ALA 228.A O no hydrogen 2.997 N/A GLY 34.A N GLY 226.A O no hydrogen 2.928 N/A MET 35.A N LEU 225.A O no hydrogen 3.124 N/A ALA 37.A N HIS 223.A O no hydrogen 2.789 N/A ARG 38.A N GLN 7.A OE1 no hydrogen 3.071 N/A ARG 38.A NH1 ASP 220.A OD1 no hydrogen 3.220 N/A TYR 39.A N PHE 221.A O no hydrogen 2.760 N/A LEU 41.A N GLY 219.A O no hydrogen 2.869 N/A ARG 42.A N SER 40.A OG no hydrogen 3.291 N/A ARG 42.A NE GLU 180.A OE2 no hydrogen 2.817 N/A ARG 42.A NH1 ASP 220.A OD1 no hydrogen 2.739 N/A ARG 42.A NH1 ASP 220.A OD2 no hydrogen 3.019 N/A ARG 42.A NH2 GLU 180.A OE1 no hydrogen 2.728 N/A ARG 42.A NH2 ASP 220.A OD2 no hydrogen 2.525 N/A PHE 45.A N PRO 250.A O no hydrogen 2.933 N/A LEU 47.A N PHE 45.A O no hydrogen 2.723 N/A THR 49.A N GLU 5.A OE1 no hydrogen 3.012 N/A THR 49.A N GLU 5.A OE2 no hydrogen 2.690 N/A THR 49.A OG1 GLU 5.A OE2 no hydrogen 2.640 N/A THR 49.A OG1 ARG 247.A O no hydrogen 3.199 N/A THR 50.A N GLU 5.A OE1 no hydrogen 2.924 N/A THR 50.A OG1 GLU 5.A OE1 no hydrogen 2.484 N/A VAL 53.A N TYR 274.A OH no hydrogen 3.053 N/A LYS 56.A NZ LYS 78.A O no hydrogen 3.254 N/A VAL 58.A N PHE 54.A O no hydrogen 3.406 N/A LEU 59.A N TRP 55.A O no hydrogen 2.975 N/A GLU 60.A N LYS 56.A O no hydrogen 2.756 N/A GLU 61.A N GLY 57.A O no hydrogen 3.010 N/A LEU 62.A N VAL 58.A O no hydrogen 2.886 N/A LEU 63.A N LEU 59.A O no hydrogen 3.118 N/A TRP 64.A N GLU 60.A O no hydrogen 2.931 N/A PHE 65.A N GLU 61.A O no hydrogen 2.953 N/A ILE 66.A N LEU 62.A O no hydrogen 2.807 N/A LYS 67.A N LEU 63.A O no hydrogen 3.097 N/A LYS 67.A N TRP 64.A O no hydrogen 3.158 N/A GLY 68.A N PHE 65.A O no hydrogen 2.979 N/A SER 69.A OG GLU 74.A OE2 no hydrogen 2.996 N/A THR 70.A OG1 TYR 120.A OH no hydrogen 2.947 N/A ASN 71.A N SER 69.A OG no hydrogen 3.416 N/A ALA 72.A N GLY 103.A O no hydrogen 2.867 N/A LYS 73.A N ASN 71.A OD1 no hydrogen 3.046 N/A GLU 74.A N ASN 71.A O no hydrogen 2.956 N/A SER 76.A N ALA 72.A O no hydrogen 3.063 N/A SER 76.A OG ASP 84.A OD1 no hydrogen 2.934 N/A SER 76.A OG ASP 84.A OD2 no hydrogen 2.688 N/A SER 77.A N LYS 73.A O no hydrogen 2.916 N/A SER 77.A OG GLU 74.A O no hydrogen 3.227 N/A LYS 78.A N LEU 75.A O no hydrogen 2.923 N/A GLY 79.A N SER 76.A O no hydrogen 3.258 N/A LYS 81.A NZ SER 76.A O no hydrogen 2.974 N/A TRP 83.A NE1 GLU 61.A OE2 no hydrogen 2.788 N/A ASP 84.A N LYS 81.A O no hydrogen 2.869 N/A ASN 86.A N TRP 83.A O no hydrogen 3.222 N/A GLY 87.A N ASP 84.A O no hydrogen 3.187 N/A SER 88.A OG ALA 85.A O no hydrogen 3.260 N/A ARG 89.A N GLU 102.A OE1 no hydrogen 3.007 N/A ARG 89.A NE ASP 93.A OD1 no hydrogen 2.751 N/A ARG 89.A NE ASP 93.A OD2 no hydrogen 3.139 N/A ARG 89.A NH1 ARG 100.A O no hydrogen 3.073 N/A ARG 89.A NH2 ASP 93.A OD1 no hydrogen 2.748 N/A PHE 91.A N SER 88.A OG no hydrogen 3.250 N/A LEU 92.A N SER 88.A O no hydrogen 2.630 N/A ASP 93.A N ARG 89.A O no hydrogen 2.644 N/A SER 94.A N ASP 90.A O no hydrogen 3.098 N/A SER 94.A OG PHE 91.A O no hydrogen 2.326 N/A LEU 95.A N LEU 92.A O no hydrogen 3.230 N/A GLY 96.A N ASP 93.A O no hydrogen 2.657 N/A PHE 97.A N LEU 92.A O no hydrogen 2.993 N/A SER 98.A N GLY 96.A O no hydrogen 2.817 N/A ARG 100.A NH1 ASP 104.A O no hydrogen 2.917 N/A ARG 100.A NH1 LEU 163.A O no hydrogen 3.393 N/A ARG 100.A NH2 LEU 163.A O no hydrogen 2.830 N/A GLY 103.A N GLY 87.A O no hydrogen 2.657 N/A ASP 104.A N GLU 101.A O no hydrogen 2.852 N/A LEU 105.A N THR 70.A O no hydrogen 2.939 N/A GLY 106.A N ASP 104.A OD1 no hydrogen 3.396 N/A VAL 108.A N GLY 106.A O no hydrogen 2.923 N/A GLN 112.A N VAL 108.A O no hydrogen 3.424 N/A GLN 112.A NE2 PRO 107.A O no hydrogen 2.580 N/A GLN 112.A NE2 ASP 160.A OD2 no hydrogen 3.240 N/A TRP 113.A N TYR 109.A O no hydrogen 2.983 N/A ARG 114.A NE ASP 133.A OD1 no hydrogen 3.134 N/A ARG 114.A NH1 ILE 66.A O no hydrogen 2.767 N/A ARG 114.A NH1 ASP 262.A OD1 no hydrogen 2.883 N/A ARG 114.A NH2 ASP 133.A OD1 no hydrogen 3.466 N/A ARG 114.A NH2 ASP 133.A OD2 no hydrogen 2.711 N/A HIS 115.A N PHE 111.A O no hydrogen 2.842 N/A HIS 115.A ND1 GLN 130.A O no hydrogen 2.920 N/A PHE 116.A N VAL 132.A O no hydrogen 3.063 N/A ALA 118.A N HIS 115.A O no hydrogen 2.996 N/A TYR 120.A OH THR 70.A OG1 no hydrogen 2.947 N/A TYR 120.A OH ASP 104.A OD1 no hydrogen 2.359 N/A ARG 121.A N TYR 127.A OH no hydrogen 2.795 N/A ARG 121.A NH2 ASP 126.A O no hydrogen 2.726 N/A ARG 121.A NH2 GLN 130.A OE1 no hydrogen 3.341 N/A ASP 122.A N SER 125.A OG no hydrogen 3.156 N/A MET 123.A N ASP 104.A OD2 no hydrogen 3.104 N/A GLU 124.A N ASP 122.A OD1 no hydrogen 3.374 N/A SER 125.A N ASP 122.A O no hydrogen 3.188 N/A SER 125.A OG ASP 122.A O no hydrogen 3.134 N/A SER 125.A OG ASP 122.A OD1 no hydrogen 3.247 N/A TYR 127.A OH ASP 122.A O no hydrogen 2.804 N/A SER 128.A OG ASP 126.A OD1 no hydrogen 2.528 N/A SER 128.A OG ASP 126.A OD2 no hydrogen 3.361 N/A GLN 130.A N TYR 127.A O no hydrogen 3.016 N/A VAL 132.A N PHE 116.A O no hydrogen 2.697 N/A GLN 134.A N TRP 113.A O no hydrogen 2.839 N/A GLN 134.A NE2 GLN 112.A O no hydrogen 2.529 N/A GLN 134.A NE2 CYS 154.A O no hydrogen 3.145 N/A LEU 135.A N TRP 113.A O no hydrogen 3.047 N/A GLN 136.A N ASP 133.A OD1 no hydrogen 3.206 N/A GLN 136.A NE2 ASP 140.A OD1 no hydrogen 2.983 N/A ARG 137.A N ASP 133.A O no hydrogen 3.287 N/A VAL 138.A N GLN 134.A O no hydrogen 3.089 N/A ILE 139.A N LEU 135.A O no hydrogen 3.239 N/A ASP 140.A N GLN 136.A O no hydrogen 2.894 N/A THR 141.A N ARG 137.A O no hydrogen 2.839 N/A THR 141.A OG1 ARG 137.A O no hydrogen 2.815 N/A ILE 142.A N VAL 138.A O no hydrogen 2.977 N/A LYS 143.A N ILE 139.A O no hydrogen 3.253 N/A THR 144.A N ASP 140.A O no hydrogen 3.111 N/A THR 144.A OG1 ASP 140.A O no hydrogen 3.140 N/A ASN 145.A N THR 141.A O no hydrogen 2.692 N/A ASP 148.A N ASN 145.A O no hydrogen 3.069 N/A ARG 150.A N ASP 148.A OD2 no hydrogen 3.033 N/A MET 153.A N CYS 172.A O no hydrogen 2.902 N/A CYS 154.A N GLN 134.A OE1 no hydrogen 2.950 N/A CYS 154.A SG ALA 170.A O no hydrogen 3.809 N/A ALA 155.A N ALA 170.A O no hydrogen 3.029 N/A ASN 157.A ND2 GLN 112.A OE1 no hydrogen 3.067 N/A ASP 160.A N ASN 157.A O no hydrogen 2.884 N/A ASP 160.A N ASN 157.A OD1 no hydrogen 3.174 N/A LEU 161.A N PRO 158.A O no hydrogen 3.168 N/A LEU 163.A N ASP 160.A O no hydrogen 2.961 N/A MET 164.A N LEU 161.A O no hydrogen 3.171 N/A ALA 165.A N LEU 105.A O no hydrogen 2.526 N/A HIS 169.A ND1 TYR 203.A OH no hydrogen 2.748 N/A ALA 170.A N TYR 186.A O no hydrogen 3.079 N/A LEU 171.A N TYR 186.A O no hydrogen 3.473 N/A CYS 172.A N MET 153.A O no hydrogen 3.053 N/A GLN 173.A N GLN 184.A O no hydrogen 2.903 N/A PHE 174.A N ILE 151.A O no hydrogen 2.981 N/A TYR 175.A N SER 182.A O no hydrogen 3.024 N/A VAL 177.A N GLU 180.A O no hydrogen 2.902 N/A GLU 180.A N VAL 177.A O no hydrogen 2.771 N/A LEU 181.A N LYS 217.A O no hydrogen 2.940 N/A SER 182.A N TYR 175.A O no hydrogen 2.875 N/A CYS 183.A N ASP 220.A O no hydrogen 3.150 N/A CYS 183.A SG GLN 173.A O no hydrogen 3.634 N/A GLN 184.A N GLN 173.A O no hydrogen 2.824 N/A LEU 185.A N ILE 222.A O no hydrogen 2.940 N/A TYR 186.A N LEU 171.A O no hydrogen 2.697 N/A GLN 187.A N THR 224.A O no hydrogen 2.843 N/A GLN 187.A NE2 SER 189.A O no hydrogen 3.136 N/A GLN 187.A NE2 ASN 199.A OD1 no hydrogen 2.871 N/A ARG 188.A NE PRO 168.A O no hydrogen 2.571 N/A ARG 188.A NH2 PRO 167.A O no hydrogen 3.128 N/A ARG 188.A NH2 PRO 168.A O no hydrogen 3.350 N/A GLY 190.A N ASP 227.A O no hydrogen 3.002 N/A MET 192.A N HIS 229.A O no hydrogen 2.921 N/A LEU 194.A N ASP 191.A OD1 no hydrogen 3.106 N/A VAL 196.A N ASP 191.A O no hydrogen 2.914 N/A ASN 199.A N GLY 195.A O no hydrogen 2.895 N/A ILE 200.A N VAL 196.A O no hydrogen 2.936 N/A SER 202.A N PHE 198.A O no hydrogen 2.829 N/A TYR 203.A N ASN 199.A O no hydrogen 3.032 N/A TYR 203.A OH HIS 169.A ND1 no hydrogen 2.748 N/A ALA 204.A N ILE 200.A O no hydrogen 2.995 N/A LEU 205.A N ALA 201.A O no hydrogen 2.756 N/A LEU 206.A N SER 202.A O no hydrogen 2.740 N/A THR 207.A N TYR 203.A O no hydrogen 3.152 N/A THR 207.A OG1 TYR 203.A O no hydrogen 2.648 N/A TYR 208.A N ALA 204.A O no hydrogen 3.033 N/A TYR 208.A OH GLU 44.A O no hydrogen 2.451 N/A MET 209.A N LEU 205.A O no hydrogen 2.806 N/A ILE 210.A N LEU 206.A O no hydrogen 2.770 N/A ALA 211.A N THR 207.A O no hydrogen 2.563 N/A HIS 212.A N TYR 208.A O no hydrogen 2.796 N/A ILE 213.A N MET 209.A O no hydrogen 3.215 N/A THR 214.A N ILE 210.A O no hydrogen 3.156 N/A THR 214.A N ALA 211.A O no hydrogen 3.316 N/A THR 214.A OG1 ILE 210.A O no hydrogen 2.688 N/A THR 214.A OG1 ALA 211.A O no hydrogen 3.206 N/A GLY 215.A N HIS 212.A O no hydrogen 3.446 N/A LEU 216.A N ALA 211.A O no hydrogen 2.920 N/A LYS 217.A N SER 179.A O no hydrogen 2.971 N/A GLY 219.A N LEU 181.A O no hydrogen 2.813 N/A ASP 220.A N SER 182.A OG no hydrogen 2.773 N/A PHE 221.A N TYR 39.A O no hydrogen 2.728 N/A ILE 222.A N CYS 183.A O no hydrogen 2.870 N/A HIS 223.A N ALA 37.A O no hydrogen 2.736 N/A HIS 223.A NE2 GLN 187.A OE1 no hydrogen 2.735 N/A THR 224.A N LEU 185.A O no hydrogen 3.050 N/A THR 224.A OG1 GLN 184.A OE1 no hydrogen 3.090 N/A LEU 225.A N MET 35.A O no hydrogen 2.907 N/A GLY 226.A N GLN 187.A O no hydrogen 2.855 N/A ASP 227.A N ARG 188.A O no hydrogen 2.938 N/A ALA 228.A N VAL 32.A O no hydrogen 2.969 N/A HIS 229.A N GLY 190.A O no hydrogen 3.133 N/A HIS 229.A ND1 ASP 227.A OD1 no hydrogen 2.972 N/A ILE 230.A N LEU 30.A O no hydrogen 2.809 N/A LEU 232.A N GLY 28.A O no hydrogen 3.040 N/A HIS 234.A N TYR 231.A O no hydrogen 2.844 N/A HIS 234.A NE2 GLU 283.A O no hydrogen 2.893 N/A ILE 235.A N LEU 232.A O no hydrogen 3.445 N/A LEU 238.A N HIS 234.A O no hydrogen 2.991 N/A LYS 239.A N ILE 235.A O no hydrogen 2.981 N/A ILE 240.A N GLU 236.A O no hydrogen 3.234 N/A GLN 241.A N PRO 237.A O no hydrogen 3.018 N/A GLN 241.A NE2 THR 50.A OG1 no hydrogen 2.812 N/A LEU 242.A N LEU 238.A O no hydrogen 2.853 N/A GLN 243.A N ILE 240.A O no hydrogen 2.920 N/A ARG 244.A N GLN 241.A O no hydrogen 2.989 N/A ARG 244.A NH1 THR 50.A O no hydrogen 3.096 N/A ARG 244.A NH1 PRO 278.A O no hydrogen 2.779 N/A ARG 247.A N THR 49.A OG1 no hydrogen 2.974 N/A ARG 247.A NH1 ASN 275.A O no hydrogen 2.853 N/A LYS 251.A N GLU 272.A O no hydrogen 3.067 N/A ARG 253.A N GLN 270.A O no hydrogen 2.715 N/A LEU 255.A N ASP 268.A O no hydrogen 2.709 N/A ARG 256.A NE ASP 268.A OD1 no hydrogen 2.905 N/A ARG 256.A NH2 ASP 268.A OD2 no hydrogen 2.959 N/A VAL 258.A N HIS 212.A NE2 no hydrogen 3.054 N/A ASP 263.A N LYS 260.A O no hydrogen 2.888 N/A LYS 265.A N ASP 268.A OD2 no hydrogen 2.913 N/A ASP 268.A N LYS 265.A O no hydrogen 3.147 N/A GLN 270.A N ARG 253.A O no hydrogen 3.032 N/A GLU 272.A N LYS 251.A O no hydrogen 2.726 N/A TYR 274.A OH LEU 48.A O no hydrogen 2.706 N/A HIS 277.A N THR 49.A O no hydrogen 2.852 N/A HIS 277.A NE2 GLU 245.A O no hydrogen 2.942 N/A