Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2br9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE GLU 39.A OE2 no hydrogen 2.778 N/A ARG 2.A NH2 GLU 34.A O no hydrogen 2.904 N/A ARG 2.A NH2 GLU 39.A OE1 no hydrogen 2.779 N/A ARG 2.A NH2 GLU 39.A OE2 no hydrogen 3.535 N/A LEU 5.A N ASP 1.A O no hydrogen 2.796 N/A VAL 6.A N ARG 2.A O no hydrogen 3.072 N/A TYR 7.A N GLU 3.A O no hydrogen 2.921 N/A GLN 8.A N ASP 4.A O no hydrogen 2.891 N/A ALA 9.A N LEU 5.A O no hydrogen 2.837 N/A LYS 10.A N VAL 6.A O no hydrogen 2.954 N/A LYS 10.A NZ GLU 38.A OE1 no hydrogen 2.797 N/A LEU 11.A N TYR 7.A O no hydrogen 2.954 N/A ALA 12.A N GLN 8.A O no hydrogen 2.952 N/A GLU 13.A N ALA 9.A O no hydrogen 2.819 N/A GLN 14.A N LYS 10.A O no hydrogen 2.996 N/A ALA 15.A N LEU 11.A O no hydrogen 3.002 N/A GLU 16.A N GLU 13.A O no hydrogen 3.066 N/A ARG 17.A N ALA 12.A O no hydrogen 2.884 N/A ARG 17.A NE GLU 20.A OE2 no hydrogen 2.598 N/A ARG 17.A NH2 GLU 20.A OE1 no hydrogen 2.681 N/A ARG 17.A NH2 GLU 20.A OE2 no hydrogen 3.345 N/A MET 21.A N ARG 17.A O no hydrogen 3.163 N/A VAL 22.A N TYR 18.A O no hydrogen 2.881 N/A GLU 23.A N ASP 19.A O no hydrogen 3.174 N/A SER 24.A N GLU 20.A O no hydrogen 3.048 N/A SER 24.A OG GLU 20.A O no hydrogen 3.346 N/A MET 25.A N MET 21.A O no hydrogen 3.068 N/A LYS 26.A N VAL 22.A O no hydrogen 2.711 N/A LYS 26.A NZ ASP 97.A OD1 no hydrogen 2.994 N/A LYS 26.A NZ ASP 97.A OD2 no hydrogen 3.117 N/A LYS 27.A N GLU 23.A O no hydrogen 3.272 N/A VAL 28.A N SER 24.A O no hydrogen 3.357 N/A ALA 29.A N MET 25.A O no hydrogen 2.994 N/A GLY 30.A N LYS 26.A O no hydrogen 2.841 N/A MET 31.A N VAL 28.A O no hydrogen 3.008 N/A ASP 32.A N ALA 29.A O no hydrogen 3.269 N/A THR 36.A N GLU 39.A OE1 no hydrogen 2.844 N/A GLU 39.A N THR 36.A OG1 no hydrogen 3.018 N/A ARG 40.A N THR 36.A O no hydrogen 2.884 N/A ARG 40.A NH2 GLU 114.A OE1 no hydrogen 3.357 N/A ASN 41.A N VAL 37.A O no hydrogen 2.973 N/A LEU 42.A N GLU 38.A O no hydrogen 2.978 N/A LEU 43.A N GLU 39.A O no hydrogen 2.834 N/A SER 44.A N ARG 40.A O no hydrogen 2.884 N/A VAL 45.A N ASN 41.A O no hydrogen 2.749 N/A ALA 46.A N LEU 42.A O no hydrogen 2.971 N/A TYR 47.A N LEU 43.A O no hydrogen 3.190 N/A TYR 47.A OH ASP 97.A OD2 no hydrogen 2.672 N/A LYS 48.A N SER 44.A O no hydrogen 2.831 N/A ASN 49.A N VAL 45.A O no hydrogen 2.982 N/A ASN 49.A ND2 VAL 45.A O no hydrogen 2.895 N/A VAL 50.A N ALA 46.A O no hydrogen 3.046 N/A ILE 51.A N TYR 47.A O no hydrogen 2.880 N/A GLY 52.A N LYS 48.A O no hydrogen 2.852 N/A ALA 53.A N ASN 49.A O no hydrogen 3.152 N/A ARG 54.A NE GLU 90.A OE2 no hydrogen 2.988 N/A ARG 54.A NH2 VAL 50.A O no hydrogen 3.032 N/A ARG 55.A N ILE 51.A O no hydrogen 2.823 N/A ARG 55.A NE GLU 132.A OE2 no hydrogen 3.003 N/A ARG 55.A NH2 GLU 132.A OE1 no hydrogen 2.750 N/A ARG 55.A NH2 GLU 132.A OE2 no hydrogen 3.482 N/A ALA 56.A N GLY 52.A O no hydrogen 2.927 N/A SER 57.A N ALA 53.A O no hydrogen 2.998 N/A SER 57.A OG ALA 53.A O no hydrogen 3.115 N/A TRP 58.A N ARG 54.A O no hydrogen 2.829 N/A TRP 58.A NE1 GLU 88.A OE2 no hydrogen 2.758 N/A ARG 59.A N ARG 55.A O no hydrogen 2.972 N/A ILE 60.A N ALA 56.A O no hydrogen 3.010 N/A ILE 61.A N SER 57.A O no hydrogen 2.888 N/A SER 62.A N TRP 58.A O no hydrogen 2.840 N/A SER 62.A OG TRP 58.A O no hydrogen 2.896 N/A SER 63.A N ARG 59.A O no hydrogen 2.967 N/A SER 63.A OG ARG 59.A O no hydrogen 2.754 N/A ILE 64.A N ILE 60.A O no hydrogen 3.064 N/A GLU 65.A N ILE 61.A O no hydrogen 2.898 N/A GLN 66.A N SER 62.A O no hydrogen 2.937 N/A LYS 67.A N SER 63.A O no hydrogen 2.959 N/A GLU 68.A N ILE 64.A O no hydrogen 2.906 N/A GLU 69.A N GLU 65.A O no hydrogen 2.953 N/A ASN 70.A N GLN 66.A O no hydrogen 3.168 N/A ASN 70.A ND2 GLN 66.A O no hydrogen 2.853 N/A LYS 71.A N LYS 67.A O no hydrogen 3.055 N/A LYS 71.A NZ GLU 68.A OE1 no hydrogen 3.537 N/A LYS 71.A NZ GLU 68.A OE2 no hydrogen 2.676 N/A GLY 73.A N GLU 68.A O no hydrogen 2.835 N/A GLU 74.A N GLY 72.A O no hydrogen 2.980 N/A LEU 77.A N GLY 73.A O no hydrogen 2.872 N/A LYS 78.A N GLU 74.A O no hydrogen 3.234 N/A ILE 80.A N LYS 76.A O no hydrogen 2.827 N/A ARG 81.A N LEU 77.A O no hydrogen 2.896 N/A ARG 81.A NE GLU 65.A OE1 no hydrogen 3.033 N/A ARG 81.A NH2 GLU 69.A OE2 no hydrogen 3.221 N/A GLU 82.A N LYS 78.A O no hydrogen 3.204 N/A TYR 83.A N MET 79.A O no hydrogen 3.048 N/A ARG 84.A N ILE 80.A O no hydrogen 2.881 N/A ARG 84.A NE GLU 65.A OE2 no hydrogen 2.473 N/A ARG 84.A NH1 GLU 88.A OE2 no hydrogen 2.977 N/A ARG 84.A NH2 GLU 65.A OE1 no hydrogen 2.962 N/A GLN 85.A N ARG 81.A O no hydrogen 2.971 N/A MET 86.A N GLU 82.A O no hydrogen 3.025 N/A VAL 87.A N TYR 83.A O no hydrogen 3.121 N/A GLU 88.A N ARG 84.A O no hydrogen 2.864 N/A THR 89.A N GLN 85.A O no hydrogen 3.023 N/A THR 89.A OG1 GLN 85.A O no hydrogen 3.150 N/A GLU 90.A N MET 86.A O no hydrogen 3.175 N/A LEU 91.A N VAL 87.A O no hydrogen 2.793 N/A LYS 92.A N GLU 88.A O no hydrogen 2.797 N/A LEU 93.A N THR 89.A O no hydrogen 2.929 N/A ILE 94.A N GLU 90.A O no hydrogen 2.945 N/A CYS 95.A N LEU 91.A O no hydrogen 2.954 N/A CYS 95.A SG LEU 91.A O no hydrogen 3.349 N/A CYS 95.A SG TYR 126.A O no hydrogen 3.624 N/A CYS 96.A N LYS 92.A O no hydrogen 2.887 N/A CYS 96.A SG LYS 92.A O no hydrogen 3.210 N/A ASP 97.A N LEU 93.A O no hydrogen 2.914 N/A ILE 98.A N ILE 94.A O no hydrogen 3.172 N/A LEU 99.A N CYS 95.A O no hydrogen 2.882 N/A ASP 100.A N CYS 96.A O no hydrogen 2.985 N/A VAL 101.A N ASP 97.A O no hydrogen 3.150 N/A LEU 102.A N ILE 98.A O no hydrogen 2.800 N/A ASP 103.A N LEU 99.A O no hydrogen 2.962 N/A LYS 104.A N ASP 100.A O no hydrogen 2.903 N/A HIS 105.A N VAL 101.A O no hydrogen 2.978 N/A HIS 105.A ND1 ASP 32.A OD1 no hydrogen 2.659 N/A LEU 106.A N VAL 101.A O no hydrogen 3.059 N/A ILE 107.A N LEU 102.A O no hydrogen 2.852 N/A ALA 109.A N HIS 105.A O no hydrogen 3.230 N/A ALA 110.A N ILE 107.A O no hydrogen 3.091 N/A ASN 111.A N GLU 34.A OE1 no hydrogen 2.622 N/A THR 112.A OG1 SER 115.A OG no hydrogen 3.037 N/A SER 115.A N THR 112.A OG1 no hydrogen 2.950 N/A SER 115.A OG GLU 34.A OE2 no hydrogen 2.704 N/A SER 115.A OG THR 112.A O no hydrogen 3.352 N/A SER 115.A OG THR 112.A OG1 no hydrogen 3.037 N/A LYS 116.A N THR 112.A O no hydrogen 2.939 N/A VAL 117.A N GLY 113.A O no hydrogen 2.916 N/A PHE 118.A N GLU 114.A O no hydrogen 2.889 N/A TYR 119.A N SER 115.A O no hydrogen 2.950 N/A TYR 120.A N LYS 116.A O no hydrogen 3.036 N/A LYS 121.A N VAL 117.A O no hydrogen 2.902 N/A LYS 121.A NZ ASP 125.A OD2 no hydrogen 2.975 N/A MET 122.A N PHE 118.A O no hydrogen 2.984 N/A LYS 123.A N TYR 119.A O no hydrogen 2.867 N/A LYS 123.A NZ ASP 103.A OD1.A no hydrogen 3.346 N/A GLY 124.A N TYR 120.A O no hydrogen 2.875 N/A ASP 125.A N LYS 121.A O no hydrogen 2.784 N/A TYR 126.A N MET 122.A O no hydrogen 2.897 N/A HIS 127.A N LYS 123.A O no hydrogen 3.065 N/A ARG 128.A N GLY 124.A O no hydrogen 2.813 N/A ARG 128.A NE TYR 150.A OH no hydrogen 2.786 N/A ARG 128.A NH2 ASP 125.A OD1 no hydrogen 3.023 N/A ARG 128.A NH2 TYR 150.A OH no hydrogen 3.426 N/A TYR 129.A N ASP 125.A O no hydrogen 2.870 N/A LEU 130.A N TYR 126.A O no hydrogen 3.070 N/A ALA 131.A N HIS 127.A O no hydrogen 2.959 N/A GLU 132.A N ARG 128.A O no hydrogen 3.020 N/A GLU 132.A N TYR 129.A O no hydrogen 3.270 N/A ARG 139.A N THR 135.A O no hydrogen 3.364 N/A ARG 139.A N GLY 136.A O no hydrogen 3.018 N/A ARG 139.A NH1 GLU 132.A O no hydrogen 3.411 N/A ARG 139.A NH1 ALA 134.A O no hydrogen 3.310 N/A LYS 140.A N GLY 136.A O no hydrogen 3.173 N/A GLU 141.A N ASN 137.A O no hydrogen 2.825 N/A ALA 142.A N ASP 138.A O no hydrogen 2.959 N/A ALA 143.A N ARG 139.A O no hydrogen 2.838 N/A GLU 144.A N LYS 140.A O no hydrogen 2.869 N/A ASN 145.A N GLU 141.A O no hydrogen 2.957 N/A SER 146.A N ALA 142.A O no hydrogen 2.835 N/A SER 146.A OG GLY 124.A O no hydrogen 2.831 N/A LEU 147.A N ALA 143.A O no hydrogen 2.837 N/A VAL 148.A N GLU 144.A O no hydrogen 2.920 N/A ALA 149.A N ASN 145.A O no hydrogen 3.090 N/A TYR 150.A N SER 146.A O no hydrogen 2.834 N/A TYR 150.A OH ASP 125.A OD1 no hydrogen 2.625 N/A LYS 151.A N LEU 147.A O no hydrogen 2.890 N/A ALA 152.A N VAL 148.A O no hydrogen 3.023 N/A ALA 153.A N ALA 149.A O no hydrogen 2.930 N/A SER 154.A N TYR 150.A O no hydrogen 2.906 N/A SER 154.A OG TYR 150.A O no hydrogen 2.909 N/A ASP 155.A N LYS 151.A O no hydrogen 2.960 N/A ILE 156.A N ALA 152.A O no hydrogen 3.245 N/A ALA 157.A N ALA 153.A O no hydrogen 2.887 N/A MET 158.A N SER 154.A O no hydrogen 2.934 N/A THR 159.A N ASP 155.A O no hydrogen 3.293 N/A THR 159.A N ILE 156.A O no hydrogen 3.258 N/A THR 159.A OG1 ASP 155.A O no hydrogen 3.420 N/A THR 159.A OG1 ILE 156.A O no hydrogen 3.184 N/A GLU 160.A N ILE 156.A O no hydrogen 2.835 N/A LEU 161.A N ALA 157.A O no hydrogen 2.971 N/A THR 164.A OG1 THR 206.A OG1 no hydrogen 2.476 N/A HIS 165.A N PRO 162.A O no hydrogen 2.953 N/A HIS 165.A NE2 GLU 114.A OE2 no hydrogen 2.780 N/A ILE 167.A N HIS 165.A ND1 no hydrogen 3.047 N/A ARG 168.A NH1 LEU 161.A O no hydrogen 2.784 N/A LEU 169.A N HIS 165.A O no hydrogen 2.886 N/A GLY 170.A N PRO 166.A O no hydrogen 2.856 N/A LEU 171.A N ILE 167.A O no hydrogen 2.909 N/A ALA 172.A N ARG 168.A O no hydrogen 2.917 N/A LEU 173.A N LEU 169.A O no hydrogen 2.897 N/A ASN 174.A N GLY 170.A O no hydrogen 2.891 N/A ASN 174.A ND2 ASP 125.A OD1 no hydrogen 2.880 N/A ASN 174.A ND2 ASP 125.A OD2 no hydrogen 3.287 N/A PHE 175.A N LEU 171.A O no hydrogen 2.897 N/A SER 176.A N ALA 172.A O no hydrogen 2.922 N/A SER 176.A OG ALA 172.A O no hydrogen 3.299 N/A SER 176.A OG LEU 173.A O no hydrogen 2.655 N/A VAL 177.A N LEU 173.A O no hydrogen 3.023 N/A PHE 178.A N ASN 174.A O no hydrogen 2.765 N/A TYR 179.A N PHE 175.A O no hydrogen 2.993 N/A TYR 180.A N SER 176.A O no hydrogen 3.014 N/A GLU 181.A N VAL 177.A O no hydrogen 2.802 N/A ILE 182.A N PHE 178.A O no hydrogen 2.863 N/A LEU 183.A N PHE 178.A O no hydrogen 3.129 N/A SER 185.A N TYR 179.A O no hydrogen 2.721 N/A SER 185.A OG.A LEU 183.A O no hydrogen 3.174 N/A ARG 188.A NE SER 185.A OG.A no hydrogen 3.094 N/A ARG 188.A NE SER 185.A OG.B no hydrogen 2.644 N/A ARG 188.A NH2 SER 185.A OG.A no hydrogen 2.445 N/A ALA 189.A N SER 185.A O no hydrogen 2.968 N/A CYS 190.A N PRO 186.A O no hydrogen 2.822 N/A CYS 190.A SG PRO 186.A O no hydrogen 3.267 N/A ARG 191.A N ASP 187.A O no hydrogen 2.959 N/A LEU 192.A N ARG 188.A O no hydrogen 3.020 N/A ALA 193.A N ALA 189.A O no hydrogen 3.063 N/A LYS 194.A N CYS 190.A O no hydrogen 2.804 N/A LYS 194.A NZ ASP 198.A OD1 no hydrogen 3.044 N/A ALA 195.A N ARG 191.A O no hydrogen 2.878 N/A ALA 196.A N LEU 192.A O no hydrogen 2.911 N/A PHE 197.A N ALA 193.A O no hydrogen 3.025 N/A ASP 198.A N LYS 194.A O no hydrogen 2.906 N/A ASP 199.A N ALA 195.A O no hydrogen 2.899 N/A ALA 200.A N ALA 196.A O no hydrogen 3.138 N/A ILE 201.A N PHE 197.A O no hydrogen 2.943 N/A ALA 202.A N ASP 198.A O no hydrogen 3.105 N/A GLU 203.A N ALA 200.A O no hydrogen 3.047 N/A THR 206.A N GLU 203.A O no hydrogen 2.919 N/A THR 206.A OG1 THR 164.A OG1 no hydrogen 2.476 N/A THR 206.A OG1 GLU 203.A O no hydrogen 2.719 N/A LEU 207.A N LEU 204.A O no hydrogen 3.021 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.451 N/A GLU 210.A N SER 208.A OG no hydrogen 2.948 N/A SER 211.A N SER 208.A O no hydrogen 3.096 N/A SER 215.A N SER 211.A O no hydrogen 2.851 N/A SER 215.A OG THR 164.A O no hydrogen 2.606 N/A SER 215.A OG SER 211.A O no hydrogen 3.511 N/A THR 216.A N TYR 212.A O no hydrogen 2.975 N/A THR 216.A OG1 TYR 212.A O no hydrogen 2.811 N/A LEU 217.A N LYS 213.A O no hydrogen 2.982 N/A ILE 218.A N ASP 214.A O no hydrogen 3.009 N/A MET 219.A N SER 215.A O no hydrogen 2.883 N/A GLN 220.A N THR 216.A O no hydrogen 2.919 N/A GLN 220.A NE2 ASP 224.A OD1 no hydrogen 2.823 N/A LEU 221.A N LEU 217.A O no hydrogen 2.984 N/A LEU 222.A N ILE 218.A O no hydrogen 2.901 N/A ARG 223.A N MET 219.A O no hydrogen 3.034 N/A ASP 224.A N GLN 220.A O no hydrogen 2.823 N/A ASN 225.A N LEU 221.A O no hydrogen 2.947 N/A LEU 226.A N LEU 222.A O no hydrogen 2.952 N/A THR 227.A N ARG 223.A O no hydrogen 2.850 N/A THR 227.A OG1 ARG 223.A O no hydrogen 2.983 N/A LEU 228.A N ASP 224.A O no hydrogen 2.956 N/A TRP 229.A N ASN 225.A O no hydrogen 2.758 N/A THR 230.A N LEU 226.A O no hydrogen 3.012 N/A THR 230.A OG1 LEU 226.A O no hydrogen 2.851 N/A