Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4b9a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 8.A N LEU 5.A O no hydrogen 3.157 N/A ASP 9.A N VAL 24.A O no hydrogen 2.852 N/A TYR 10.A OH HIS 41.A NE2 no hydrogen 2.696 N/A LEU 11.A N VAL 22.A O no hydrogen 2.826 N/A LEU 13.A N LEU 20.A O no hydrogen 2.815 N/A THR 15.A N ALA 18.A O no hydrogen 2.911 N/A THR 15.A OG1 ALA 18.A O no hydrogen 3.099 N/A SER 16.A N GLU 89.A OE1 no hydrogen 2.963 N/A SER 16.A OG GLU 89.A OE1 no hydrogen 3.457 N/A SER 16.A OG GLU 89.A OE2 no hydrogen 2.530 N/A ARG 19.A N ARG 69.A O no hydrogen 2.850 N/A LEU 20.A N LEU 13.A O no hydrogen 2.837 N/A ARG 21.A N SER 68.A OG no hydrogen 2.944 N/A ARG 21.A NH1 LEU 11.A O no hydrogen 3.467 N/A VAL 22.A N LEU 11.A O no hydrogen 3.052 N/A ALA 23.A N LEU 59.A O no hydrogen 2.830 N/A VAL 24.A N ASP 9.A O no hydrogen 2.917 N/A LYS 25.A N VAL 57.A O no hydrogen 3.028 N/A LYS 25.A NZ.B PRO 6.A O no hydrogen 2.829 N/A LEU 31.A N SER 56.A O no hydrogen 2.778 N/A LEU 32.A N ALA 100.A O no hydrogen 2.863 N/A LEU 33.A N VAL 58.A O no hydrogen 2.944 N/A LEU 34.A N ILE 102.A O no hydrogen 2.876 N/A HIS 35.A ND1 GLY 36.A O no hydrogen 2.829 N/A TYR 37.A N ASP 105.A OD1 no hydrogen 2.830 N/A GLN 39.A N GLY 36.A O no hydrogen 2.928 N/A GLN 39.A NE2 GLU 276.A OE1 no hydrogen 2.779 N/A HIS 41.A N ASP 61.A OD1 no hydrogen 2.873 N/A HIS 41.A ND1 ASP 61.A OD1 no hydrogen 2.719 N/A HIS 41.A NE2 TYR 10.A OH no hydrogen 2.696 N/A LEU 42.A N THR 40.A OG1 no hydrogen 3.191 N/A ALA 43.A N THR 40.A O no hydrogen 3.038 N/A TRP 44.A N HIS 41.A O no hydrogen 3.103 N/A HIS 45.A N LEU 42.A O no hydrogen 2.962 N/A ARG 46.A NH1 ILE 186.A O no hydrogen 2.769 N/A ARG 46.A NH1 GLU 276.A O no hydrogen 2.830 N/A ARG 46.A NH2 ILE 186.A O no hydrogen 3.453 N/A ILE 47.A N TRP 44.A O no hydrogen 2.947 N/A ALA 48.A N TRP 44.A O no hydrogen 2.843 N/A ARG 50.A NH1 ARG 50.A O no hydrogen 2.953 N/A ARG 50.A NH1 ASP 54.A OD2 no hydrogen 2.878 N/A LEU 51.A N ILE 47.A O no hydrogen 3.211 N/A ALA 52.A N ALA 48.A O no hydrogen 2.934 N/A GLU 53.A N ARG 50.A O no hydrogen 3.115 N/A ASP 54.A N LEU 51.A O no hydrogen 3.068 N/A TYR 55.A N LEU 51.A O no hydrogen 2.966 N/A SER 56.A N PRO 29.A O no hydrogen 2.980 N/A SER 56.A OG GLY 28.A O no hydrogen 2.689 N/A VAL 57.A N LYS 25.A O no hydrogen 2.785 N/A VAL 58.A N LEU 31.A O no hydrogen 2.859 N/A LEU 59.A N ALA 23.A O no hydrogen 2.855 N/A ASP 61.A N ARG 21.A O no hydrogen 2.988 N/A LEU 62.A N HIS 35.A NE2 no hydrogen 3.023 N/A ARG 63.A NE ASP 86.A OD2 no hydrogen 2.844 N/A ARG 63.A NH2 ASP 86.A OD1 no hydrogen 2.730 N/A ARG 63.A NH2 ASP 86.A OD2 no hydrogen 3.431 N/A TYR 65.A N LEU 62.A O no hydrogen 2.833 N/A TYR 65.A OH ASP 211.A OD2 no hydrogen 2.653 N/A GLU 67.A N ASP 61.A OD2 no hydrogen 2.844 N/A SER 68.A N TYR 65.A O no hydrogen 2.987 N/A SER 68.A OG ASP 61.A O no hydrogen 2.704 N/A ARG 69.A N ARG 19.A O no hydrogen 2.886 N/A LEU 71.A N ALA 17.A O no hydrogen 2.949 N/A GLU 74.A N ASP 72.A OD1 no hydrogen 2.831 N/A GLY 75.A N ASP 72.A OD1 no hydrogen 2.948 N/A SER 79.A N ASP 77.A OD1 no hydrogen 2.914 N/A SER 79.A OG ASP 77.A OD1 no hydrogen 2.739 N/A LYS 80.A N ASP 219.A OD1 no hydrogen 2.897 N/A LYS 80.A NZ ASP 211.A O no hydrogen 3.444 N/A LYS 80.A NZ ASP 211.A OD1 no hydrogen 2.779 N/A LYS 80.A NZ ASP 219.A OD2 no hydrogen 2.830 N/A ALA 82.A N SER 79.A OG no hydrogen 3.272 N/A LEU 83.A N SER 79.A O no hydrogen 3.071 N/A ALA 84.A N LYS 80.A O no hydrogen 2.770 N/A ARG 85.A N ALA 81.A O no hydrogen 3.073 N/A ASP 86.A N ALA 82.A O no hydrogen 3.064 N/A GLN 87.A N LEU 83.A O no hydrogen 3.163 N/A GLN 87.A NE2 LEU 83.A O no hydrogen 3.155 N/A LEU 88.A N ALA 84.A O no hydrogen 3.056 N/A GLU 89.A N ARG 85.A O no hydrogen 2.974 N/A THR 90.A N ASP 86.A O no hydrogen 2.850 N/A THR 90.A OG1 ASP 86.A O no hydrogen 2.790 N/A MET 91.A N GLN 87.A O no hydrogen 2.924 N/A GLY 92.A N LEU 88.A O no hydrogen 2.876 N/A GLN 93.A N GLU 89.A O no hydrogen 2.893 N/A GLN 93.A NE2 HIS 14.A O no hydrogen 2.930 N/A LEU 94.A N THR 90.A O no hydrogen 3.150 N/A GLY 95.A N GLY 92.A O no hydrogen 3.082 N/A PHE 96.A N MET 91.A O no hydrogen 2.858 N/A ARG 98.A NH1.A ALA 296.A O no hydrogen 2.752 N/A ARG 98.A NH1.B PRO 119.A O no hydrogen 3.217 N/A ARG 98.A NH1.B GLN 120.A O no hydrogen 2.805 N/A ARG 98.A NH2.A ALA 296.A O no hydrogen 2.671 N/A PHE 99.A N ALA 121.A O no hydrogen 2.876 N/A ALA 100.A N PRO 30.A O no hydrogen 3.027 N/A VAL 101.A N ALA 124.A O no hydrogen 2.925 N/A ILE 102.A N LEU 32.A O no hydrogen 2.817 N/A GLY 103.A N VAL 126.A O no hydrogen 2.862 N/A HIS 104.A N LEU 34.A O no hydrogen 2.936 N/A HIS 104.A NE2 HIS 272.A O no hydrogen 2.843 N/A ASP 105.A N LEU 128.A O no hydrogen 3.382 N/A ARG 106.A N ASP 105.A OD1 no hydrogen 2.733 N/A ARG 106.A NE ASP 211.A OD1 no hydrogen 2.948 N/A ARG 106.A NE ASP 211.A OD2 no hydrogen 3.388 N/A ARG 106.A NH2 ASP 211.A OD1 no hydrogen 2.886 N/A GLY 107.A N HIS 104.A O no hydrogen 3.016 N/A ALA 108.A N ASP 105.A O no hydrogen 2.916 N/A ARG 109.A N ASP 105.A O no hydrogen 3.374 N/A ARG 109.A NH1 VAL 131.A O no hydrogen 2.904 N/A ARG 109.A NH1 ASN 136.A OD1 no hydrogen 3.264 N/A ARG 109.A NH2 VAL 131.A O no hydrogen 3.409 N/A ARG 109.A NH2 ASN 136.A OD1 no hydrogen 2.853 N/A VAL 110.A N ARG 106.A O no hydrogen 3.035 N/A GLY 111.A N GLY 107.A O no hydrogen 2.940 N/A TYR 112.A N ALA 108.A O no hydrogen 2.945 N/A TYR 112.A OH ASP 223.A OD1 no hydrogen 3.095 N/A TYR 112.A OH ASP 223.A OD2 no hydrogen 2.625 N/A ARG 113.A N ARG 109.A O no hydrogen 3.326 N/A ARG 113.A NH1 ASP 117.A OD1 no hydrogen 2.800 N/A ARG 113.A NH1 ASP 226.A OD2 no hydrogen 2.680 N/A ARG 113.A NH2 ASP 223.A OD1 no hydrogen 2.784 N/A ARG 113.A NH2 ASP 226.A OD2 no hydrogen 2.830 N/A LEU 114.A N VAL 110.A O no hydrogen 2.901 N/A ALA 115.A N GLY 111.A O no hydrogen 2.971 N/A LEU 116.A N TYR 112.A O no hydrogen 2.962 N/A ASP 117.A N ARG 113.A O no hydrogen 2.886 N/A HIS 118.A N LEU 114.A O no hydrogen 2.802 N/A ALA 121.A N HIS 118.A O no hydrogen 2.939 N/A VAL 122.A N PRO 119.A O no hydrogen 3.470 N/A ALA 123.A N PHE 99.A O no hydrogen 2.805 N/A PHE 125.A N PRO 236.A O no hydrogen 2.958 N/A VAL 126.A N VAL 101.A O no hydrogen 2.849 N/A SER 127.A N GLN 238.A O no hydrogen 2.896 N/A SER 127.A OG VAL 130.A O no hydrogen 2.674 N/A LEU 128.A N GLY 103.A O no hydrogen 2.821 N/A THR 129.A N LEU 240.A O no hydrogen 2.794 N/A THR 129.A OG1 LEU 128.A O no hydrogen 2.664 N/A VAL 130.A N SER 127.A OG no hydrogen 3.237 N/A ILE 133.A N TYR 112.A OH no hydrogen 3.060 N/A LEU 134.A N ASP 223.A OD2 no hydrogen 3.193 N/A ASP 135.A N PRO 132.A O no hydrogen 2.976 N/A ASN 136.A N PRO 132.A O no hydrogen 3.205 N/A TRP 137.A N ILE 133.A O no hydrogen 2.867 N/A TRP 137.A NE1 ALA 215.A O no hydrogen 2.869 N/A ALA 138.A N LEU 134.A O no hydrogen 3.191 N/A ALA 139.A N ASP 135.A O no hydrogen 3.307 N/A ALA 139.A N ASN 136.A O no hydrogen 3.033 N/A VAL 140.A N TRP 137.A O no hydrogen 3.242 N/A PHE 144.A N ASN 141.A OD1 no hydrogen 2.983 N/A ALA 145.A N ASN 141.A O no hydrogen 3.003 N/A LEU 146.A N LYS 142.A O no hydrogen 3.010 N/A ASN 147.A N.A VAL 143.A O no hydrogen 2.899 N/A ASN 147.A N.B VAL 143.A O no hydrogen 2.917 N/A ALA 148.A N PHE 144.A O no hydrogen 2.799 N/A TRP 151.A N ALA 148.A O no hydrogen 2.942 N/A PHE 152.A N TYR 149.A O no hydrogen 3.027 N/A LEU 153.A N TYR 149.A O no hydrogen 2.981 N/A LEU 154.A N HIS 150.A O no hydrogen 2.907 N/A GLN 156.A N LEU 153.A O no hydrogen 3.099 N/A GLN 156.A NE2 PHE 152.A O no hydrogen 2.849 N/A LEU 160.A N PRO 157.A O no hydrogen 3.061 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 2.858 N/A ARG 163.A N ASP 159.A O no hydrogen 2.954 N/A ARG 163.A NE ASP 159.A OD1 no hydrogen 3.214 N/A ARG 163.A NE ASP 159.A OD2 no hydrogen 2.848 N/A LEU 164.A N LEU 160.A O no hydrogen 3.143 N/A ILE 165.A N PRO 161.A O no hydrogen 2.823 N/A GLY 166.A N GLU 162.A O no hydrogen 2.974 N/A HIS 171.A N ASP 168.A OD1 no hydrogen 3.329 N/A PHE 172.A N ASP 168.A O no hydrogen 3.121 N/A LEU 173.A N PRO 169.A O no hydrogen 2.835 N/A ASP 174.A N GLU 170.A O no hydrogen 2.892 N/A TYR 175.A N HIS 171.A O no hydrogen 2.938 N/A THR 176.A N PHE 172.A O no hydrogen 2.924 N/A THR 176.A OG1 PHE 172.A O no hydrogen 2.783 N/A LEU 177.A N LEU 173.A O no hydrogen 2.886 N/A ARG 178.A N.A ASP 174.A O no hydrogen 2.998 N/A ARG 178.A N.B ASP 174.A O no hydrogen 3.004 N/A ARG 179.A N TYR 175.A O no hydrogen 2.944 N/A ARG 179.A NH1 TYR 175.A OH no hydrogen 2.892 N/A ARG 179.A NH2 LEU 146.A O no hydrogen 3.400 N/A ARG 179.A NH2 ASN 147.A O.A no hydrogen 2.938 N/A ARG 179.A NH2 ASN 147.A O.B no hydrogen 2.997 N/A MET 180.A N THR 176.A O no hydrogen 2.915 N/A ALA 181.A N LEU 177.A O no hydrogen 3.011 N/A GLN 182.A N ARG 179.A O no hydrogen 3.110 N/A GLY 183.A N ARG 178.A O.A no hydrogen 2.981 N/A GLY 183.A N ARG 178.A O.B no hydrogen 2.852 N/A ARG 184.A N ALA 181.A O no hydrogen 3.007 N/A ARG 184.A NH1 ASP 277.A OD1 no hydrogen 3.227 N/A ILE 186.A N ARG 184.A O no hydrogen 3.017 N/A TYR 187.A OH LEU 177.A O no hydrogen 2.758 N/A GLN 190.A N HIS 188.A ND1 no hydrogen 3.063 N/A LEU 192.A N HIS 188.A O no hydrogen 2.872 N/A GLU 193.A N PRO 189.A O no hydrogen 3.164 N/A SER 194.A N GLN 190.A O no hydrogen 3.303 N/A TYR 195.A N ALA 191.A O no hydrogen 2.975 N/A TYR 195.A OH GLU 276.A OE2 no hydrogen 2.614 N/A ARG 196.A N LEU 192.A O no hydrogen 2.874 N/A ARG 196.A NE ASP 174.A OD1 no hydrogen 2.911 N/A ARG 196.A NH1 GLU 193.A OE2 no hydrogen 2.911 N/A ARG 196.A NH2 ASP 174.A OD1 no hydrogen 3.318 N/A ARG 196.A NH2 ASP 174.A OD2 no hydrogen 2.922 N/A ARG 197.A N.A GLU 193.A O no hydrogen 2.969 N/A ARG 197.A N.B GLU 193.A O no hydrogen 2.934 N/A ARG 197.A NH2.B GLY 66.A O no hydrogen 2.999 N/A ALA 198.A N SER 194.A O no hydrogen 3.101 N/A PHE 199.A N TYR 195.A O no hydrogen 3.031 N/A ARG 200.A N ARG 196.A O no hydrogen 2.963 N/A ARG 200.A N ARG 197.A O.B no hydrogen 3.057 N/A ARG 200.A NH1 GLU 170.A OE1 no hydrogen 2.805 N/A ASP 201.A N ALA 198.A O no hydrogen 3.011 N/A ALA 203.A N ASP 201.A OD1 no hydrogen 2.913 N/A VAL 204.A N ASP 201.A O no hydrogen 3.000 N/A ARG 205.A N ASP 201.A O no hydrogen 3.205 N/A ARG 205.A NH1 PHE 199.A O no hydrogen 2.876 N/A HIS 206.A N PRO 202.A O no hydrogen 2.947 N/A HIS 206.A ND1 GLU 162.A OE2 no hydrogen 2.647 N/A ALA 207.A N ALA 203.A O no hydrogen 2.977 N/A MET 208.A N VAL 204.A O no hydrogen 2.921 N/A CYS 209.A N ARG 205.A O no hydrogen 3.022 N/A CYS 209.A SG ARG 205.A O no hydrogen 3.461 N/A GLU 210.A N HIS 206.A O no hydrogen 2.866 N/A ASP 211.A N ALA 207.A O no hydrogen 2.990 N/A TYR 212.A N MET 208.A O no hydrogen 3.126 N/A ARG 213.A N CYS 209.A O no hydrogen 2.821 N/A ARG 213.A NE GLN 156.A O no hydrogen 2.887 N/A ARG 213.A NH1 GLU 162.A OE2 no hydrogen 2.824 N/A ARG 213.A NH1 GLU 210.A OE2 no hydrogen 2.844 N/A ARG 213.A NH2 GLN 156.A O no hydrogen 2.874 N/A ARG 213.A NH2 GLU 162.A OE1 no hydrogen 2.844 N/A ARG 213.A NH2 GLU 162.A OE2 no hydrogen 3.359 N/A ALA 214.A N GLU 210.A O no hydrogen 2.871 N/A ALA 215.A N ASP 211.A O no hydrogen 2.968 N/A VAL 216.A N TYR 212.A O no hydrogen 3.423 N/A GLY 217.A N ARG 213.A O no hydrogen 3.162 N/A ASP 219.A N ALA 214.A O no hydrogen 2.863 N/A ASP 221.A N GLY 217.A O no hydrogen 3.008 N/A ALA 222.A N VAL 218.A O no hydrogen 2.943 N/A ASP 223.A N ASP 219.A O no hydrogen 3.092 N/A GLN 224.A N ALA 220.A O no hydrogen 2.900 N/A GLN 224.A NE2 GLN 224.A O no hydrogen 3.438 N/A GLN 224.A NE2 ASP 228.A OD1 no hydrogen 2.983 N/A ALA 225.A N ASP 221.A O no hydrogen 2.987 N/A ASP 226.A N ALA 222.A O no hydrogen 3.055 N/A ARG 227.A N ASP 223.A O no hydrogen 2.912 N/A ARG 227.A NH2 ASP 135.A OD1 no hydrogen 3.104 N/A ASP 228.A N GLN 224.A O no hydrogen 2.827 N/A ALA 229.A N ALA 225.A O no hydrogen 2.953 N/A GLY 230.A N ARG 227.A O no hydrogen 3.034 N/A ARG 231.A N ASP 226.A O no hydrogen 2.875 N/A ARG 231.A NE.A ASP 226.A OD1 no hydrogen 2.623 N/A ARG 231.A NE.B LEU 116.A O no hydrogen 2.845 N/A ARG 231.A NH2.A ASP 226.A OD1 no hydrogen 2.958 N/A ARG 231.A NH2.B LEU 116.A O no hydrogen 2.795 N/A LEU 233.A N TRP 259.A O no hydrogen 2.851 N/A GLN 234.A NE2 ARG 232.A O no hydrogen 3.028 N/A CYS 235.A SG PRO 236.A O no hydrogen 3.650 N/A VAL 237.A N GLN 262.A O no hydrogen 2.883 N/A GLN 238.A N PHE 125.A O no hydrogen 2.893 N/A GLN 238.A NE2 HIS 285.A O no hydrogen 3.101 N/A VAL 239.A N GLU 264.A O no hydrogen 2.921 N/A LEU 240.A N SER 127.A O no hydrogen 2.909 N/A TRP 241.A N ALA 266.A O no hydrogen 3.064 N/A GLN 242.A NE2 GLN 182.A OE1 no hydrogen 2.775 N/A GLU 243.A N ILE 268.A O no hydrogen 2.913 N/A ARG 244.A NH1 PRO 245.A O no hydrogen 2.970 N/A TYR 246.A OH GLN 242.A O no hydrogen 2.738 N/A GLN 250.A N ALA 247.A O no hydrogen 2.856 N/A GLN 250.A NE2.B ALA 248.A O no hydrogen 3.570 N/A LEU 253.A N HIS 251.A ND1 no hydrogen 3.048 N/A ILE 255.A N HIS 251.A O no hydrogen 2.888 N/A TRP 256.A N PRO 252.A O no hydrogen 2.924 N/A TRP 256.A NE1 VAL 130.A O no hydrogen 2.801 N/A LYS 257.A N LEU 253.A O no hydrogen 3.051 N/A THR 258.A N ILE 255.A O no hydrogen 2.902 N/A THR 258.A OG1 ILE 255.A O no hydrogen 2.693 N/A TRP 259.A N TRP 256.A O no hydrogen 2.838 N/A TRP 259.A NE1 ASP 135.A OD2 no hydrogen 2.811 N/A GLU 264.A N VAL 237.A O no hydrogen 2.938 N/A ALA 266.A N VAL 239.A O no hydrogen 3.075 N/A ILE 268.A N TRP 241.A O no hydrogen 2.781 N/A ALA 270.A N ILE 268.A O no hydrogen 2.952 N/A SER 271.A N ASP 277.A OD2 no hydrogen 2.911 N/A SER 271.A OG ASP 277.A OD2 no hydrogen 2.745 N/A HIS 272.A NE2 ASP 105.A OD2 no hydrogen 2.635 N/A MET 273.A N SER 271.A OG no hydrogen 3.108 N/A LEU 274.A N HIS 272.A O no hydrogen 2.889 N/A GLU 276.A N MET 273.A O no hydrogen 3.230 N/A ASP 277.A N MET 273.A O no hydrogen 2.895 N/A ALA 278.A N LEU 274.A O no hydrogen 2.946 N/A VAL 282.A N ALA 278.A O no hydrogen 2.914 N/A LEU 283.A N PRO 279.A O no hydrogen 2.848 N/A GLU 284.A N ASP 280.A O no hydrogen 2.940 N/A HIS 285.A N ALA 281.A O no hydrogen 3.209 N/A LEU 286.A N VAL 282.A O no hydrogen 2.817 N/A LEU 287.A N LEU 283.A O no hydrogen 2.836 N/A GLY 288.A N GLU 284.A O no hydrogen 3.184 N/A PHE 289.A N HIS 285.A O no hydrogen 2.987 N/A LEU 290.A N LEU 286.A O no hydrogen 2.893 N/A ALA 291.A N LEU 287.A O no hydrogen 2.971 N/A SER 292.A N GLY 288.A O no hydrogen 2.910 N/A SER 292.A OG.A PHE 289.A O no hydrogen 2.851 N/A SER 292.A OG.B GLY 288.A O no hydrogen 3.144 N/A HIS 293.A N PHE 289.A O no hydrogen 3.080 N/A HIS 293.A NE2 GLU 264.A OE1 no hydrogen 2.994 N/A ARG 294.A N ALA 291.A O no hydrogen 3.371 N/A ARG 294.A NH1 ALA 291.A O no hydrogen 2.792 N/A LEU 297.A N HIS 293.A O no hydrogen 3.349 N/A LEU 297.A N ARG 294.A O no hydrogen 3.117 N/A ARG 298.A N GLU 295.A O no hydrogen 3.089 N/A ARG 298.A NE GLU 295.A OE1 no hydrogen 3.056 N/A