Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3d7r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A N SER 1.A OG no hydrogen 3.125 N/A LYS 5.A N SER 1.A O no hydrogen 3.023 N/A TYR 6.A N VAL 2.A O no hydrogen 3.179 N/A LEU 7.A N ASN 4.A O no hydrogen 3.433 N/A ARG 11.A N LEU 8.A O no hydrogen 3.037 N/A ARG 11.A NH1 GLN 80.A O no hydrogen 2.843 N/A ARG 11.A NH2 GLN 80.A O no hydrogen 2.921 N/A SER 12.A N HIS 9.A O no hydrogen 3.046 N/A LYS 15.A N ASP 19.A OD2 no hydrogen 2.858 N/A LYS 15.A NZ ASP 19.A OD1 no hydrogen 3.554 N/A LYS 15.A NZ ASP 19.A OD2 no hydrogen 2.813 N/A ASP 19.A N ASN 16.A OD1 no hydrogen 2.927 N/A VAL 20.A N ASN 16.A O no hydrogen 3.256 N/A GLU 21.A N ASP 17.A O no hydrogen 2.867 N/A ARG 22.A N GLN 18.A O no hydrogen 3.039 N/A ARG 22.A NH2 ASP 19.A OD1 no hydrogen 2.695 N/A PHE 23.A N ASP 19.A O no hydrogen 2.994 N/A PHE 24.A N VAL 20.A O no hydrogen 2.935 N/A TYR 25.A N GLU 21.A O no hydrogen 2.853 N/A LYS 26.A N ARG 22.A O no hydrogen 2.978 N/A ARG 27.A N PHE 23.A O no hydrogen 2.814 N/A ARG 27.A NE ALA 78.A O no hydrogen 2.859 N/A ARG 27.A NH2 ASN 31.A OD1 no hydrogen 2.686 N/A GLU 28.A N PHE 24.A O no hydrogen 2.926 N/A GLU 30.A N LYS 26.A O no hydrogen 2.942 N/A ASN 31.A N ARG 27.A O no hydrogen 2.818 N/A ASN 31.A ND2 ALA 78.A O no hydrogen 2.949 N/A ARG 32.A NE GLU 110.A OE1 no hydrogen 2.741 N/A ARG 32.A NH2 GLU 28.A OE2 no hydrogen 2.723 N/A ARG 32.A NH2 GLU 110.A OE2 no hydrogen 3.447 N/A LYS 33.A N GLU 30.A O no hydrogen 3.264 N/A LYS 33.A NZ GLU 30.A OE1 no hydrogen 3.557 N/A LYS 33.A NZ GLU 30.A OE2 no hydrogen 3.174 N/A HIS 35.A N GLN 55.A OE1 no hydrogen 2.734 N/A LEU 41.A N PRO 38.A O no hydrogen 3.364 N/A LYS 44.A N ASP 90.A OD2 no hydrogen 2.906 N/A ALA 45.A N ASP 90.A OD1 no hydrogen 2.729 N/A ASN 46.A N ASN 60.A O no hydrogen 2.694 N/A GLU 48.A N ARG 58.A O no hydrogen 2.708 N/A LEU 50.A N VAL 56.A O no hydrogen 2.764 N/A GLN 55.A NE2 HIS 35.A O no hydrogen 2.786 N/A VAL 56.A N LEU 50.A O no hydrogen 2.840 N/A PHE 57.A N LEU 102.A O no hydrogen 2.956 N/A ARG 58.A N GLU 48.A O no hydrogen 2.878 N/A ARG 58.A NH1 GLU 99.A OE1 no hydrogen 2.937 N/A ARG 58.A NH1 GLU 130.A OE1 no hydrogen 2.861 N/A ARG 58.A NH2 GLU 130.A OE2 no hydrogen 2.806 N/A PHE 59.A N VAL 100.A O no hydrogen 2.835 N/A ASN 60.A N ASN 46.A O no hydrogen 2.897 N/A ASN 60.A ND2 GLU 48.A OE2 no hydrogen 3.298 N/A ASN 60.A ND2 GLU 99.A OE2 no hydrogen 2.621 N/A GLN 64.A N PHE 61.A O no hydrogen 2.973 N/A GLN 64.A NE2 ARG 62.A O no hydrogen 2.870 N/A LYS 67.A NZ ASP 66.A OD1 no hydrogen 3.450 N/A LYS 68.A N ASN 135.A O no hydrogen 2.856 N/A LYS 68.A NZ ILE 65.A O no hydrogen 2.751 N/A LYS 68.A NZ GLU 99.A OE1 no hydrogen 2.735 N/A ILE 69.A N GLU 99.A O no hydrogen 2.850 N/A LEU 70.A N VAL 137.A O no hydrogen 2.810 N/A TYR 71.A N VAL 101.A O no hydrogen 2.783 N/A TYR 71.A OH ASP 140.A OD1 no hydrogen 2.661 N/A HIS 73.A ND1 GLY 74.A O no hydrogen 2.786 N/A GLY 74.A N ASP 140.A OD1 no hydrogen 2.948 N/A PHE 76.A N SER 142.A OG no hydrogen 2.771 N/A ALA 78.A N GLY 75.A O no hydrogen 3.110 N/A LEU 79.A N GLY 75.A O no hydrogen 2.837 N/A GLN 80.A NE2 ASN 31.A O no hydrogen 3.447 N/A SER 82.A N HIS 85.A ND1 no hydrogen 2.988 N/A PHE 84.A N SER 82.A OG no hydrogen 3.028 N/A HIS 85.A N SER 82.A O no hydrogen 2.927 N/A HIS 85.A NE2 ASP 140.A OD2 no hydrogen 2.888 N/A TRP 86.A N SER 82.A O no hydrogen 3.258 N/A TRP 86.A NE1 HIS 35.A NE2 no hydrogen 3.010 N/A ARG 87.A N PRO 83.A O no hydrogen 3.191 N/A LEU 88.A N PHE 84.A O no hydrogen 2.930 N/A LEU 89.A N HIS 85.A O no hydrogen 2.966 N/A ASP 90.A N TRP 86.A O no hydrogen 3.043 N/A LYS 91.A N ARG 87.A O no hydrogen 3.097 N/A ILE 92.A N LEU 88.A O no hydrogen 2.934 N/A THR 93.A N LEU 89.A O no hydrogen 2.891 N/A THR 93.A OG1 LEU 89.A O no hydrogen 2.763 N/A LEU 94.A N ASP 90.A O no hydrogen 3.042 N/A SER 95.A N LYS 91.A O no hydrogen 2.891 N/A SER 95.A OG LYS 91.A O no hydrogen 2.997 N/A THR 96.A N ILE 92.A O no hydrogen 2.811 N/A THR 96.A OG1 ILE 92.A O no hydrogen 2.696 N/A LEU 97.A N THR 93.A O no hydrogen 2.874 N/A TYR 98.A N THR 96.A OG1 no hydrogen 3.155 N/A TYR 98.A OH ASP 281.A OD1 no hydrogen 2.752 N/A GLU 99.A N LYS 67.A O no hydrogen 2.858 N/A VAL 100.A N PHE 59.A O no hydrogen 2.865 N/A VAL 101.A N ILE 69.A O no hydrogen 2.745 N/A LEU 102.A N PHE 57.A O no hydrogen 2.759 N/A ILE 104.A N GLN 55.A O no hydrogen 2.870 N/A TYR 105.A OH HIS 73.A O no hydrogen 2.575 N/A LYS 107.A NZ HIS 73.A NE2 no hydrogen 3.036 N/A LYS 107.A NZ GLN 80.A OE1 no hydrogen 2.767 N/A LYS 107.A NZ TYR 105.A O no hydrogen 2.762 N/A THR 108.A N ASN 77.A O no hydrogen 2.674 N/A THR 108.A OG1 PHE 111.A O no hydrogen 2.848 N/A PHE 111.A N LYS 107.A O no hydrogen 2.963 N/A HIS 112.A N ASP 115.A OD2 no hydrogen 2.925 N/A ILE 113.A N TRP 203.A O no hydrogen 2.940 N/A THR 116.A N HIS 112.A O no hydrogen 3.138 N/A THR 116.A OG1 PRO 106.A O no hydrogen 2.955 N/A THR 116.A OG1 HIS 112.A O no hydrogen 3.358 N/A PHE 117.A N ILE 113.A O no hydrogen 2.983 N/A GLN 118.A N ASP 114.A O no hydrogen 2.953 N/A ALA 119.A N ASP 115.A O no hydrogen 3.235 N/A ILE 120.A N THR 116.A O no hydrogen 3.191 N/A GLN 121.A N PHE 117.A O no hydrogen 3.023 N/A GLN 121.A NE2 ASP 125.A OD1 no hydrogen 2.940 N/A GLN 121.A NE2 ASP 125.A OD2 no hydrogen 3.406 N/A ARG 122.A N GLN 118.A O no hydrogen 3.064 N/A VAL 123.A N ALA 119.A O no hydrogen 3.164 N/A TYR 124.A N ILE 120.A O no hydrogen 2.867 N/A TYR 124.A OH PRO 160.A O no hydrogen 2.598 N/A ASP 125.A N GLN 121.A O no hydrogen 2.840 N/A GLN 126.A N ARG 122.A O no hydrogen 3.038 N/A LEU 127.A N VAL 123.A O no hydrogen 3.017 N/A VAL 128.A N TYR 124.A O no hydrogen 2.974 N/A SER 129.A N ASP 125.A O no hydrogen 3.017 N/A SER 129.A OG GLN 126.A O no hydrogen 2.545 N/A GLU 130.A N GLN 126.A O no hydrogen 3.222 N/A GLU 130.A N LEU 127.A O no hydrogen 2.929 N/A VAL 131.A N LEU 127.A O no hydrogen 3.056 N/A GLY 132.A N VAL 128.A O no hydrogen 2.844 N/A GLN 134.A N GLN 134.A OE1 no hydrogen 2.883 N/A ASN 135.A N GLY 132.A O no hydrogen 3.053 N/A ASN 135.A ND2 VAL 131.A O no hydrogen 2.766 N/A VAL 136.A N HIS 133.A O no hydrogen 3.151 N/A VAL 137.A N LYS 68.A O no hydrogen 2.834 N/A VAL 138.A N LYS 164.A O no hydrogen 3.116 N/A ASP 140.A N ILE 72.A O no hydrogen 3.338 N/A GLY 141.A N ILE 168.A O no hydrogen 2.784 N/A GLY 144.A N GLY 141.A O no hydrogen 2.882 N/A ALA 145.A N GLY 141.A O no hydrogen 3.234 N/A LEU 146.A N SER 142.A O no hydrogen 2.892 N/A ALA 147.A N GLY 143.A O no hydrogen 2.803 N/A LEU 148.A N GLY 144.A O no hydrogen 2.985 N/A SER 149.A N ALA 145.A O no hydrogen 2.877 N/A SER 149.A OG ARG 213.A O no hydrogen 2.850 N/A PHE 150.A N LEU 146.A O no hydrogen 2.768 N/A VAL 151.A N ALA 147.A O no hydrogen 3.033 N/A GLN 152.A N LEU 148.A O no hydrogen 2.896 N/A GLN 152.A NE2 PRO 216.A O no hydrogen 2.959 N/A GLN 152.A NE2 THR 220.A O no hydrogen 2.958 N/A SER 153.A N SER 149.A O no hydrogen 2.895 N/A LEU 154.A N PHE 150.A O no hydrogen 2.996 N/A LEU 155.A N VAL 151.A O no hydrogen 2.908 N/A ASP 156.A N GLN 152.A O no hydrogen 2.828 N/A ASN 157.A N SER 153.A O no hydrogen 2.906 N/A ASN 157.A N LEU 154.A O no hydrogen 3.202 N/A ASN 157.A ND2 SER 153.A O no hydrogen 2.884 N/A GLN 158.A N LEU 155.A O no hydrogen 3.296 N/A GLN 159.A N LEU 154.A O no hydrogen 2.772 N/A ASN 163.A N VAL 136.A O no hydrogen 2.819 N/A LYS 164.A NZ ASN 163.A OD1 no hydrogen 2.840 N/A LYS 164.A NZ ILE 280.A O no hydrogen 2.774 N/A LYS 164.A NZ GLU 282.A O no hydrogen 2.696 N/A LEU 165.A N PRO 226.A O no hydrogen 2.969 N/A TYR 166.A N VAL 138.A O no hydrogen 2.777 N/A TYR 166.A OH SER 279.A OG no hydrogen 2.723 N/A LEU 167.A N TYR 228.A O no hydrogen 2.861 N/A ILE 168.A N GLY 139.A O no hydrogen 2.874 N/A SER 169.A N PHE 229.A O no hydrogen 2.657 N/A SER 169.A OG GLU 234.A OE1 no hydrogen 3.287 N/A SER 169.A OG GLU 234.A OE2 no hydrogen 2.644 N/A ILE 171.A N GLY 141.A O no hydrogen 3.182 N/A ALA 174.A N SER 215.A OG no hydrogen 2.776 N/A THR 175.A N ASP 173.A OD1 no hydrogen 3.074 N/A THR 175.A OG1 ASP 173.A OD1 no hydrogen 2.639 N/A THR 175.A OG1 ASP 173.A OD2 no hydrogen 3.241 N/A THR 175.A OG1 SER 177.A OG no hydrogen 2.854 N/A LEU 176.A N ASP 173.A O no hydrogen 3.259 N/A SER 177.A OG THR 175.A OG1 no hydrogen 2.854 N/A ASN 178.A ND2 ASP 238.A OD1 no hydrogen 2.937 N/A ASP 180.A N ASN 178.A OD1 no hydrogen 2.870 N/A ILE 181.A N ASN 178.A O no hydrogen 2.960 N/A LEU 185.A N SER 182.A OG no hydrogen 3.038 N/A ILE 186.A N SER 182.A O no hydrogen 2.967 N/A GLU 187.A N ASP 183.A O no hydrogen 2.887 N/A GLN 188.A N ALA 184.A O no hydrogen 3.259 N/A GLN 188.A N LEU 185.A O no hydrogen 3.028 N/A ASP 189.A N ILE 186.A O no hydrogen 3.254 N/A VAL 191.A N ASP 189.A OD1 no hydrogen 2.873 N/A LEU 192.A N ASP 189.A OD1 no hydrogen 2.856 N/A GLN 194.A NE2 THR 175.A O no hydrogen 2.911 N/A GLY 196.A N SER 193.A OG no hydrogen 2.985 N/A VAL 197.A N SER 193.A O no hydrogen 2.872 N/A ASN 198.A N GLN 194.A O no hydrogen 2.846 N/A ASN 198.A ND2 ALA 174.A O no hydrogen 3.105 N/A ASN 198.A ND2 THR 175.A O no hydrogen 3.172 N/A GLU 199.A N PHE 195.A O no hydrogen 2.980 N/A ILE 200.A N GLY 196.A O no hydrogen 2.981 N/A LYS 202.A N GLU 199.A O no hydrogen 3.226 N/A TRP 203.A N ILE 200.A O no hydrogen 3.135 N/A TRP 203.A NE1 THR 116.A OG1 no hydrogen 2.837 N/A ASN 205.A N LYS 201.A O no hydrogen 3.297 N/A LEU 207.A N ALA 204.A O no hydrogen 3.197 N/A ASP 211.A N PRO 208.A O no hydrogen 2.958 N/A ARG 213.A N ASP 211.A OD2 no hydrogen 2.763 N/A ARG 213.A NH1 ASP 114.A OD1 no hydrogen 2.973 N/A ARG 213.A NH2 ASP 114.A OD1 no hydrogen 2.760 N/A ILE 214.A N ASP 211.A O no hydrogen 2.906 N/A SER 215.A N ASP 211.A O no hydrogen 2.882 N/A SER 215.A OG LEU 209.A O no hydrogen 2.673 N/A ILE 217.A N LEU 172.A O no hydrogen 3.195 N/A ASN 218.A N SER 215.A O no hydrogen 2.990 N/A ASN 218.A ND2 THR 210.A O no hydrogen 2.809 N/A GLY 219.A N PRO 216.A O no hydrogen 2.844 N/A THR 220.A OG1 ASP 156.A OD1 no hydrogen 2.547 N/A THR 220.A OG1 ASP 156.A OD2 no hydrogen 3.464 N/A GLY 223.A N GLN 248.A OE1 no hydrogen 2.890 N/A LEU 224.A N ILE 221.A O no hydrogen 3.215 N/A VAL 227.A N TYR 249.A O no hydrogen 3.141 N/A TYR 228.A N LEU 165.A O no hydrogen 2.891 N/A TYR 228.A OH GLU 282.A OE2 no hydrogen 2.744 N/A GLY 230.A N TYR 253.A O no hydrogen 3.209 N/A GLY 231.A N GLU 234.A OE2 no hydrogen 2.851 N/A GLY 232.A N TYR 255.A O no hydrogen 2.889 N/A THR 235.A OG1 GLU 234.A OE1 no hydrogen 2.534 N/A HIS 236.A N GLU 234.A O no hydrogen 2.967 N/A HIS 236.A NE2 ASP 254.A OD2 no hydrogen 2.702 N/A LEU 240.A N PRO 237.A O no hydrogen 2.864 N/A PHE 241.A N ASP 238.A O no hydrogen 2.805 N/A GLN 243.A N LYS 239.A O no hydrogen 3.033 N/A GLN 245.A N GLN 243.A O no hydrogen 2.918 N/A HIS 246.A ND1 GLU 222.A OE2 no hydrogen 2.845 N/A HIS 247.A N LEU 244.A O no hydrogen 2.939 N/A GLN 248.A NE2 LEU 224.A O no hydrogen 2.759 N/A TYR 249.A N GLN 286.A OE1 no hydrogen 2.863 N/A TYR 249.A OH GLU 251.A OE2 no hydrogen 2.415 N/A GLU 251.A N VAL 227.A O no hydrogen 2.941 N/A TYR 253.A OH GLU 251.A OE1 no hydrogen 2.558 N/A TYR 255.A N GLY 230.A O no hydrogen 2.875 N/A TYR 255.A OH GLN 275.A OE1 no hydrogen 2.543 N/A HIS 259.A ND1 GLU 234.A OE1 no hydrogen 2.788 N/A ASP 260.A N SER 169.A OG no hydrogen 2.915 N/A ILE 263.A N ASP 260.A O no hydrogen 3.090 N/A TYR 264.A N PHE 261.A O no hydrogen 2.952 N/A ILE 266.A N TYR 264.A O no hydrogen 2.873 N/A GLN 268.A N GLN 268.A OE1 no hydrogen 2.764 N/A SER 269.A N ILE 266.A O no hydrogen 3.086 N/A SER 269.A OG.A PHE 261.A O no hydrogen 2.936 N/A SER 269.A OG.A TYR 264.A O no hydrogen 2.754 N/A SER 269.A OG.B PRO 262.A O no hydrogen 2.579 N/A HIS 270.A N ILE 266.A O no hydrogen 3.416 N/A LYS 271.A N ARG 267.A O no hydrogen 2.933 N/A ALA 272.A N GLN 268.A O no hydrogen 2.844 N/A ILE 273.A N SER 269.A O no hydrogen 2.872 N/A LYS 274.A N HIS 270.A O no hydrogen 2.953 N/A GLN 275.A N LYS 271.A O no hydrogen 2.999 N/A ILE 276.A N ALA 272.A O no hydrogen 2.934 N/A ALA 277.A N ILE 273.A O no hydrogen 2.936 N/A LYS 278.A N LYS 274.A O no hydrogen 2.852 N/A SER 279.A N GLN 275.A O no hydrogen 2.980 N/A SER 279.A OG TYR 166.A OH no hydrogen 2.723 N/A SER 279.A OG GLN 275.A O no hydrogen 2.791 N/A SER 279.A OG ILE 276.A O no hydrogen 3.191 N/A ILE 280.A N ILE 276.A O no hydrogen 2.830 N/A GLU 282.A N SER 279.A O no hydrogen 3.014 N/A