Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3d5y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N VAL 1.A O no hydrogen 3.039 N/A PHE 11.A N SER 279.A OG no hydrogen 2.978 N/A TYR 12.A N ASN 10.A OD1 no hydrogen 2.830 N/A TYR 12.A OH LEU 302.A O no hydrogen 2.662 N/A GLU 13.A N ASN 10.A O no hydrogen 3.043 N/A MET 14.A N PHE 11.A O no hydrogen 3.414 N/A TRP 16.A NE1 PHE 11.A O no hydrogen 2.896 N/A SER 17.A N ASP 15.A OD2 no hydrogen 3.146 N/A LYS 19.A N VAL 54.A O no hydrogen 2.829 N/A ASP 21.A N TRP 56.A O no hydrogen 2.788 N/A ALA 24.A N PRO 295.A O no hydrogen 3.041 N/A HIS 25.A ND1 ASP 26.A OD2 no hydrogen 2.772 N/A HIS 25.A NE2 TYR 287.A OH no hydrogen 2.601 N/A ASP 26.A N HIS 285.A ND1 no hydrogen 2.893 N/A VAL 28.A N PHE 39.A O no hydrogen 3.017 N/A ILE 29.A N TYR 274.A OH no hydrogen 3.065 N/A ALA 30.A N TYR 37.A O no hydrogen 2.943 N/A LYS 31.A NZ GLY 33.A O no hydrogen 2.936 N/A GLU 32.A N ARG 35.A O no hydrogen 2.831 N/A ARG 35.A N GLU 32.A O no hydrogen 3.112 N/A TRP 36.A N SER 50.A O no hydrogen 2.810 N/A TYR 37.A N ALA 30.A O no hydrogen 2.750 N/A VAL 38.A N LYS 48.A O no hydrogen 2.922 N/A PHE 39.A N VAL 28.A O no hydrogen 3.023 N/A HIS 40.A N GLN 46.A O no hydrogen 2.973 N/A HIS 40.A ND1 THR 41.A O no hydrogen 2.819 N/A THR 41.A N HIS 25.A O no hydrogen 2.924 N/A THR 41.A OG1 HIS 25.A O no hydrogen 3.332 N/A THR 41.A OG1 ASP 26.A OD2 no hydrogen 2.606 N/A GLY 42.A N LEU 82.A O no hydrogen 2.992 N/A SER 43.A OG ASP 80.A OD1 no hydrogen 2.655 N/A GLY 44.A N ASP 80.A O no hydrogen 3.006 N/A ILE 45.A N GLY 42.A O no hydrogen 3.080 N/A GLN 46.A N HIS 40.A O no hydrogen 3.119 N/A GLN 46.A NE2 SER 43.A O no hydrogen 2.869 N/A ILE 47.A N GLY 60.A O no hydrogen 2.966 N/A LYS 48.A N VAL 38.A O no hydrogen 2.824 N/A LYS 48.A NZ ASP 21.A O no hydrogen 2.904 N/A LYS 48.A NZ TRP 23.A O no hydrogen 2.673 N/A LYS 48.A NZ ASN 58.A OD1 no hydrogen 2.853 N/A THR 49.A N GLU 57.A O no hydrogen 2.855 N/A THR 49.A OG1 TRP 36.A O no hydrogen 2.976 N/A SER 50.A N TRP 36.A O no hydrogen 2.921 N/A SER 50.A OG HIS 55.A O no hydrogen 2.646 N/A ASP 52.A N SER 50.A OG no hydrogen 3.117 N/A GLY 53.A N SER 50.A OG no hydrogen 2.977 N/A VAL 54.A N ASP 52.A OD1 no hydrogen 2.931 N/A HIS 55.A N ASP 52.A OD1 no hydrogen 2.970 N/A TRP 56.A N LYS 19.A O no hydrogen 2.890 N/A TRP 56.A NE1 GLY 53.A O no hydrogen 2.785 N/A GLU 57.A N THR 49.A O no hydrogen 2.871 N/A ASN 58.A N ASP 21.A OD2 no hydrogen 2.838 N/A MET 59.A N ILE 47.A O no hydrogen 2.798 N/A VAL 62.A N GLY 44.A O no hydrogen 3.096 N/A VAL 62.A N ILE 45.A O no hydrogen 3.005 N/A PHE 63.A N GLY 44.A O no hydrogen 2.940 N/A TRP 69.A NE1 ASP 129.A OD1 no hydrogen 2.955 N/A TRP 69.A NE1 ASP 129.A OD2 no hydrogen 3.113 N/A TYR 70.A N PRO 67.A O no hydrogen 3.374 N/A TYR 70.A OH TYR 98.A OH no hydrogen 2.806 N/A LYS 71.A N ASP 68.A O no hydrogen 3.105 N/A GLN 72.A N TRP 69.A O no hydrogen 3.045 N/A TYR 73.A N TYR 70.A O no hydrogen 3.096 N/A VAL 74.A N TYR 70.A O no hydrogen 2.882 N/A LYS 77.A N VAL 74.A O no hydrogen 3.064 N/A LYS 77.A NZ GLU 79.A OE1 no hydrogen 2.848 N/A LYS 77.A NZ GLU 79.A OE2 no hydrogen 3.274 N/A LYS 77.A NZ HIS 81.A O no hydrogen 2.935 N/A LYS 77.A NZ SER 101.A O no hydrogen 2.995 N/A HIS 81.A N GLU 79.A OE2 no hydrogen 3.005 N/A LEU 82.A N GLY 42.A O no hydrogen 2.958 N/A TRP 83.A N SER 99.A O no hydrogen 2.939 N/A ALA 84.A N THR 41.A OG1 no hydrogen 2.789 N/A ASP 86.A N TYR 97.A O no hydrogen 2.793 N/A CYS 88.A N TYR 95.A O no hydrogen 3.008 N/A PHE 89.A N PHE 3.A O no hydrogen 2.927 N/A TYR 90.A N ILE 93.A O no hydrogen 2.849 N/A ILE 93.A N TYR 90.A O no hydrogen 2.872 N/A TYR 94.A N ASN 115.A O no hydrogen 2.805 N/A TYR 95.A N CYS 88.A O no hydrogen 2.896 N/A LEU 96.A N ALA 113.A O no hydrogen 2.815 N/A TYR 97.A N ASP 86.A O no hydrogen 2.880 N/A TYR 97.A OH MET 178.A O no hydrogen 2.710 N/A TYR 98.A N GLY 111.A O no hydrogen 3.036 N/A TYR 98.A OH TYR 70.A OH no hydrogen 2.806 N/A SER 99.A N TRP 83.A O no hydrogen 2.826 N/A SER 99.A OG TRP 83.A O no hydrogen 2.945 N/A VAL 100.A N VAL 109.A O no hydrogen 2.791 N/A SER 101.A OG THR 102.A O no hydrogen 3.523 N/A SER 101.A OG SER 108.A OG no hydrogen 2.678 N/A LYS 105.A N THR 102.A O no hydrogen 3.213 N/A ASN 106.A ND2 ASP 140.A O no hydrogen 3.047 N/A ASN 106.A ND2 TYR 142.A O no hydrogen 2.978 N/A SER 108.A N SER 136.A O no hydrogen 3.065 N/A SER 108.A OG SER 101.A OG no hydrogen 2.678 N/A VAL 109.A N VAL 100.A O no hydrogen 2.933 N/A ILE 110.A N ILE 134.A O no hydrogen 2.859 N/A GLY 111.A N TYR 98.A O no hydrogen 2.898 N/A LEU 112.A N GLY 131.A O no hydrogen 2.979 N/A ALA 113.A N LEU 96.A O no hydrogen 2.848 N/A THR 114.A N LYS 128.A O no hydrogen 2.983 N/A ASN 115.A N TYR 94.A O no hydrogen 3.017 N/A THR 117.A N ASN 115.A OD1 no hydrogen 3.379 N/A THR 117.A OG1 GLU 32.A OE1 no hydrogen 3.153 N/A THR 117.A OG1 GLU 32.A OE2 no hydrogen 2.718 N/A LEU 118.A N GLU 32.A OE1 no hydrogen 2.923 N/A ASP 119.A N THR 117.A OG1 no hydrogen 3.226 N/A ARG 121.A N ASP 119.A OD1 no hydrogen 2.929 N/A ARG 121.A NE ASP 119.A OD1 no hydrogen 2.969 N/A ARG 121.A NH2 ASP 119.A OD2 no hydrogen 2.957 N/A ASP 122.A N ASP 119.A O no hydrogen 3.036 N/A ASP 124.A N ASP 122.A OD1 no hydrogen 2.836 N/A TYR 125.A N ASP 122.A O no hydrogen 2.954 N/A GLU 126.A N ASN 115.A OD1 no hydrogen 2.853 N/A TRP 127.A NE1 TYR 125.A OH no hydrogen 2.921 N/A LYS 128.A N THR 114.A O no hydrogen 2.848 N/A MET 130.A N LEU 112.A O no hydrogen 2.891 N/A GLY 131.A N ASP 129.A OD1 no hydrogen 3.040 N/A VAL 133.A N ILE 110.A O no hydrogen 2.761 N/A SER 136.A N SER 108.A O no hydrogen 2.880 N/A SER 136.A OG ASN 106.A O no hydrogen 2.667 N/A THR 137.A N ASP 140.A OD2 no hydrogen 2.879 N/A SER 139.A N THR 137.A OG1 no hydrogen 3.193 N/A ASP 140.A N THR 137.A O no hydrogen 2.920 N/A TYR 142.A OH HIS 135.A O no hydrogen 2.818 N/A ASN 143.A ND2 SER 108.A OG no hydrogen 2.655 N/A ALA 144.A N SER 136.A OG no hydrogen 2.910 N/A ILE 145.A N ASN 143.A O no hydrogen 2.896 N/A ASP 146.A N SER 99.A OG no hydrogen 3.015 N/A ASN 148.A N SER 160.A O no hydrogen 2.789 N/A ASN 148.A ND2 ASP 86.A OD1 no hydrogen 3.212 N/A VAL 149.A N ASP 86.A OD2 no hydrogen 2.921 N/A VAL 150.A N TRP 158.A O no hydrogen 2.990 N/A ASP 152.A N GLN 156.A O no hydrogen 2.952 N/A GLN 153.A N TYR 211.A OH no hydrogen 2.928 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.891 N/A GLY 155.A N ASP 152.A O no hydrogen 2.920 N/A GLN 156.A N ASP 152.A OD1 no hydrogen 2.859 N/A GLN 156.A NE2 PRO 157.A O no hydrogen 3.008 N/A GLN 156.A NE2 LEU 173.A O no hydrogen 2.638 N/A TRP 158.A N VAL 150.A O no hydrogen 2.757 N/A TRP 158.A NE1 ASP 152.A OD2 no hydrogen 2.937 N/A LEU 159.A N ILE 171.A O no hydrogen 2.794 N/A SER 160.A N ASN 148.A O no hydrogen 2.878 N/A PHE 161.A N GLN 169.A O no hydrogen 3.026 N/A GLY 162.A N ILE 145.A O no hydrogen 2.855 N/A PHE 164.A N ILE 199.A O no hydrogen 2.966 N/A SER 166.A N ASN 141.A O no hydrogen 2.873 N/A SER 166.A OG ASN 141.A O no hydrogen 2.780 N/A SER 166.A OG ASN 141.A OD1 no hydrogen 3.422 N/A GLY 167.A N PHE 164.A O no hydrogen 2.955 N/A ILE 168.A N ALA 190.A O no hydrogen 2.868 N/A GLN 169.A N PHE 161.A O no hydrogen 2.752 N/A GLN 169.A NE2 SER 166.A OG no hydrogen 2.898 N/A GLN 169.A NE2 GLY 167.A O no hydrogen 2.993 N/A LEU 170.A N LEU 187.A O no hydrogen 2.781 N/A ILE 171.A N LEU 159.A O no hydrogen 2.877 N/A LEU 173.A N PRO 157.A O no hydrogen 2.850 N/A ASP 174.A N LYS 179.A O no hydrogen 2.981 N/A GLU 176.A N ASP 174.A OD1 no hydrogen 2.721 N/A THR 177.A N ASP 174.A OD1 no hydrogen 2.958 N/A THR 177.A OG1 LYS 179.A O no hydrogen 3.325 N/A MET 178.A N ASP 174.A O no hydrogen 2.790 N/A LYS 179.A N THR 177.A OG1 no hydrogen 3.101 N/A LYS 179.A NZ MET 130.A O no hydrogen 2.698 N/A LYS 179.A NZ PRO 132.A O no hydrogen 2.726 N/A ALA 184.A N ALA 181.A O no hydrogen 3.014 N/A LEU 187.A N LEU 170.A O no hydrogen 2.869 N/A THR 188.A OG1 GLN 169.A OE1 no hydrogen 2.760 N/A ILE 189.A N ILE 168.A O no hydrogen 2.781 N/A SER 191.A N MET 250.A O no hydrogen 2.788 N/A ARG 192.A N ASN 197.A OD1 no hydrogen 2.768 N/A ARG 192.A NH1 ALA 198.A O no hydrogen 2.969 N/A ARG 192.A NH1 ASP 218.A OD1 no hydrogen 2.853 N/A GLY 193.A N SER 191.A OG no hydrogen 3.127 N/A ASN 197.A ND2 TRP 165.A O no hydrogen 2.864 N/A ASN 197.A ND2 SER 191.A OG no hydrogen 2.921 N/A ILE 199.A N ASN 197.A O no hydrogen 2.881 N/A ALA 200.A N SER 216.A O no hydrogen 3.004 N/A ALA 201.A N ASP 146.A OD2 no hydrogen 2.961 N/A PHE 203.A N PHE 214.A O no hydrogen 2.853 N/A ILE 204.A N ASN 148.A OD1 no hydrogen 2.901 N/A VAL 205.A N TYR 212.A O no hydrogen 3.035 N/A CYS 206.A SG TYR 210.A O no hydrogen 3.658 N/A ARG 207.A N TYR 210.A O no hydrogen 2.793 N/A TYR 210.A N ARG 207.A O no hydrogen 2.980 N/A TYR 211.A N SER 235.A O no hydrogen 2.766 N/A TYR 212.A N VAL 205.A O no hydrogen 2.759 N/A LEU 213.A N GLY 233.A O no hydrogen 2.899 N/A PHE 214.A N PHE 203.A O no hydrogen 2.907 N/A VAL 215.A N ALA 231.A O no hydrogen 2.880 N/A SER 216.A N ALA 200.A O no hydrogen 2.904 N/A PHE 217.A N LYS 229.A O no hydrogen 2.896 N/A ASP 218.A N ALA 198.A O no hydrogen 3.009 N/A PHE 219.A N THR 227.A OG1 no hydrogen 3.056 N/A CYS 221.A N TYR 287.A OH no hydrogen 2.886 N/A ARG 222.A N SER 226.A OG no hydrogen 2.924 N/A GLU 225.A N ARG 222.A O no hydrogen 2.867 N/A SER 226.A N GLY 223.A O no hydrogen 2.986 N/A SER 226.A OG GLY 223.A O no hydrogen 2.843 N/A THR 227.A N PHE 219.A O no hydrogen 2.845 N/A TYR 228.A N PHE 219.A O no hydrogen 3.141 N/A LYS 229.A N PHE 217.A O no hydrogen 3.101 N/A ILE 230.A N ASP 259.A O no hydrogen 2.948 N/A ALA 231.A N VAL 215.A O no hydrogen 2.891 N/A VAL 232.A N THR 256.A O no hydrogen 2.912 N/A GLY 233.A N LEU 213.A O no hydrogen 3.048 N/A ARG 234.A N VAL 243.A O no hydrogen 2.865 N/A ARG 234.A NH1 TYR 212.A OH no hydrogen 3.238 N/A ARG 234.A NH1 GLU 307.A O no hydrogen 2.852 N/A SER 235.A N TYR 211.A O no hydrogen 2.837 N/A SER 235.A OG ASP 237.A O no hydrogen 2.835 N/A SER 235.A OG PRO 241.A O no hydrogen 3.184 N/A ASP 237.A N SER 235.A OG no hydrogen 3.246 N/A GLY 240.A N ASP 237.A O no hydrogen 2.949 N/A TYR 242.A OH ILE 238.A O no hydrogen 2.718 N/A VAL 243.A N ARG 234.A O no hydrogen 2.947 N/A ASP 244.A N VAL 248.A O no hydrogen 2.950 N/A LYS 245.A N THR 256.A OG1 no hydrogen 3.080 N/A ASN 246.A N ASP 244.A OD1 no hydrogen 2.888 N/A GLY 247.A N ASP 244.A O no hydrogen 2.998 N/A VAL 248.A N ASP 244.A OD1 no hydrogen 2.970 N/A MET 250.A N TYR 242.A O no hydrogen 2.742 N/A MET 251.A N SER 249.A OG no hydrogen 2.943 N/A GLN 252.A N SER 249.A O no hydrogen 2.951 N/A GLY 253.A N SER 191.A O no hydrogen 2.931 N/A GLY 254.A N SER 249.A O no hydrogen 2.915 N/A GLY 255.A N ASP 244.A OD2 no hydrogen 2.783 N/A THR 256.A N VAL 232.A O no hydrogen 2.831 N/A LEU 258.A N ILE 230.A O no hydrogen 2.750 N/A GLY 261.A N ASP 259.A OD1 no hydrogen 2.919 N/A ASN 262.A N TRP 265.A O no hydrogen 2.972 N/A ARG 264.A N ASN 262.A OD1 no hydrogen 2.837 N/A ARG 264.A NH1 ARG 264.A O no hydrogen 3.220 N/A ARG 264.A NH1 ASP 288.A OD1 no hydrogen 2.699 N/A TRP 265.A N ASN 262.A OD1 no hydrogen 2.817 N/A ILE 266.A N TYR 287.A O no hydrogen 2.985 N/A GLY 269.A N HIS 285.A O no hydrogen 2.992 N/A HIS 270.A N SER 216.A OG no hydrogen 2.769 N/A ALA 272.A N VAL 283.A O no hydrogen 2.835 N/A TYR 274.A N ILE 281.A O no hydrogen 3.095 N/A SER 276.A N SER 279.A O no hydrogen 2.850 N/A SER 276.A OG GLY 7.A O no hydrogen 2.921 N/A SER 276.A OG GLY 8.A O no hydrogen 2.730 N/A SER 276.A OG VAL 9.A O no hydrogen 2.660 N/A SER 279.A N SER 276.A O no hydrogen 2.789 N/A SER 279.A OG SER 276.A O no hydrogen 2.595 N/A ILE 281.A N TYR 274.A O no hydrogen 2.873 N/A LEU 282.A N ARG 300.A O no hydrogen 2.843 N/A VAL 283.A N ALA 272.A O no hydrogen 2.764 N/A ASN 284.A N GLN 298.A O no hydrogen 2.983 N/A ASN 284.A ND2 HIS 285.A O no hydrogen 2.978 N/A ASN 284.A ND2 GLN 298.A OE1 no hydrogen 2.888 N/A HIS 285.A N GLY 269.A O no hydrogen 3.069 N/A HIS 285.A NE2 TYR 287.A OH no hydrogen 3.005 N/A ALA 286.A N THR 296.A O no hydrogen 3.028 N/A TYR 287.A N ILE 266.A O no hydrogen 2.815 N/A TYR 287.A OH HIS 25.A NE2 no hydrogen 2.601 N/A ASP 288.A N GLU 294.A O no hydrogen 2.959 N/A ALA 289.A N ARG 264.A O no hydrogen 3.081 N/A LEU 290.A N ASP 288.A OD1 no hydrogen 2.892 N/A LYS 291.A N ASP 288.A O no hydrogen 3.026 N/A GLY 293.A N ASP 288.A O no hydrogen 2.805 N/A GLU 294.A N LYS 291.A O no hydrogen 2.993 N/A THR 296.A N ALA 286.A O no hydrogen 2.793 N/A THR 296.A OG1 GLU 294.A O no hydrogen 2.978 N/A LEU 297.A N LEU 22.A O no hydrogen 2.866 N/A GLN 298.A N ASN 284.A O no hydrogen 2.862 N/A ARG 300.A N LEU 282.A O no hydrogen 2.990 N/A ARG 300.A NH1 ASP 259.A OD2 no hydrogen 2.867 N/A ARG 300.A NH2 ASP 259.A OD2 no hydrogen 2.810 N/A ARG 300.A NH2 ASN 284.A OD1 no hydrogen 3.014 N/A LEU 302.A N ALA 280.A O no hydrogen 2.838 N/A TYR 303.A N TYR 311.A O no hydrogen 2.691 N/A ASP 305.A N TRP 309.A O no hydrogen 2.838 N/A GLY 308.A N ASP 305.A O no hydrogen 2.931 N/A TRP 309.A N ASP 305.A OD1 no hydrogen 2.801 N/A TYR 311.A N TYR 303.A O no hydrogen 2.812 N/A