Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p8l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 PHE 63.A O no hydrogen 3.105 N/A HIS 4.A N GLN 64.A O no hydrogen 2.839 N/A HIS 6.A NE2 LYS 65.A O no hydrogen 2.665 N/A THR 9.A N SER 7.A OG no hydrogen 3.083 N/A THR 9.A OG1 SER 7.A OG no hydrogen 3.331 N/A PHE 11.A N LEU 8.A O no hydrogen 3.378 N/A SER 12.A OG GLN 13.A OE1 no hydrogen 3.219 N/A GLN 14.A N ASN 10.A O no hydrogen 3.113 N/A GLN 14.A N PHE 11.A O no hydrogen 3.253 N/A HIS 15.A N PHE 11.A O no hydrogen 3.181 N/A HIS 15.A N SER 12.A O no hydrogen 3.306 N/A HIS 15.A ND1 TYR 72.A OH no hydrogen 2.630 N/A LEU 16.A N SER 12.A O no hydrogen 2.856 N/A LEU 18.A N HIS 15.A O no hydrogen 2.965 N/A VAL 19.A N HIS 15.A O no hydrogen 3.424 N/A GLU 20.A N LEU 16.A O no hydrogen 2.995 N/A LYS 21.A N PRO 17.A O no hydrogen 2.922 N/A LYS 21.A NZ ASP 25.A OD2 no hydrogen 2.802 N/A VAL 22.A N LEU 18.A O no hydrogen 3.067 N/A MET 23.A N VAL 19.A O no hydrogen 3.070 N/A VAL 24.A N GLU 20.A O no hydrogen 2.824 N/A ASP 25.A N LYS 21.A O no hydrogen 2.885 N/A PHE 26.A N VAL 22.A O no hydrogen 2.864 N/A ILE 27.A N MET 23.A O no hydrogen 2.942 N/A ALA 28.A N VAL 24.A O no hydrogen 2.888 N/A GLU 29.A N ASP 25.A O no hydrogen 2.941 N/A TYR 30.A N PHE 26.A O no hydrogen 2.967 N/A THR 31.A OG1 ILE 27.A O no hydrogen 2.598 N/A ARG 35.A NE THR 114.A OG1 no hydrogen 3.024 N/A ARG 35.A NH2 PHE 110.A O no hydrogen 2.718 N/A LEU 36.A N ASN 33.A OD1 no hydrogen 2.899 N/A LYS 37.A N ASN 33.A O no hydrogen 3.015 N/A LYS 37.A NZ ALA 28.A O no hydrogen 3.239 N/A LYS 37.A NZ GLU 34.A OE1 no hydrogen 3.099 N/A LYS 37.A NZ GLU 34.A OE2 no hydrogen 3.153 N/A GLU 38.A N GLU 34.A O no hydrogen 2.933 N/A ALA 39.A N ARG 35.A O no hydrogen 2.965 N/A MET 40.A N LEU 36.A O no hydrogen 2.992 N/A LEU 41.A N LYS 37.A O no hydrogen 2.900 N/A TYR 42.A N GLU 38.A O no hydrogen 2.814 N/A TYR 42.A OH PRO 104.A O no hydrogen 2.447 N/A SER 43.A N ALA 39.A O no hydrogen 3.368 N/A ILE 44.A N MET 40.A O no hydrogen 3.138 N/A HIS 45.A N LEU 41.A O no hydrogen 2.877 N/A ALA 46.A N TYR 42.A O no hydrogen 3.031 N/A GLY 47.A N ILE 44.A O no hydrogen 3.124 N/A ARG 50.A NH1 GLU 79.A OE2 no hydrogen 2.896 N/A ARG 50.A NH2 GLU 20.A OE2 no hydrogen 3.140 N/A ARG 50.A NH2 ILE 44.A O no hydrogen 2.660 N/A LEU 54.A N ARG 50.A O no hydrogen 2.981 N/A LEU 55.A N LEU 51.A O no hydrogen 2.864 N/A VAL 56.A N ARG 52.A O no hydrogen 3.160 N/A LEU 57.A N PRO 53.A O no hydrogen 3.091 N/A THR 58.A N LEU 54.A O no hydrogen 2.874 N/A THR 58.A OG1 LEU 54.A O no hydrogen 2.667 N/A THR 59.A N LEU 55.A O no hydrogen 3.004 N/A THR 59.A OG1 LEU 55.A O no hydrogen 2.819 N/A VAL 60.A N VAL 56.A O no hydrogen 3.191 N/A ALA 61.A N LEU 57.A O no hydrogen 2.919 N/A ALA 62.A N THR 58.A O no hydrogen 2.837 N/A PHE 63.A N THR 59.A O no hydrogen 3.369 N/A PHE 63.A N VAL 60.A O no hydrogen 3.288 N/A GLN 64.A N ALA 61.A O no hydrogen 2.928 N/A GLN 64.A NE2 SER 269.A OG no hydrogen 2.932 N/A LYS 65.A N VAL 60.A O no hydrogen 3.382 N/A LYS 65.A NZ GLU 66.A O no hydrogen 2.982 N/A LYS 65.A NZ GLU 68.A OE2 no hydrogen 2.713 N/A LYS 65.A NZ ASP 71.A OD1 no hydrogen 3.303 N/A GLU 68.A N ASP 71.A OD1 no hydrogen 2.893 N/A GLN 70.A N GLN 70.A OE1 no hydrogen 2.825 N/A ASP 71.A N GLU 68.A O no hydrogen 2.938 N/A TYR 72.A OH HIS 15.A ND1 no hydrogen 2.630 N/A GLN 73.A N THR 69.A O no hydrogen 2.874 N/A VAL 74.A N GLN 70.A O no hydrogen 2.928 N/A ALA 75.A N ASP 71.A O no hydrogen 3.000 N/A ALA 76.A N TYR 72.A O no hydrogen 2.896 N/A SER 77.A N GLN 73.A O no hydrogen 2.975 N/A SER 77.A OG.A GLN 73.A O no hydrogen 3.274 N/A SER 77.A OG.A ALA 126.A O no hydrogen 2.998 N/A SER 77.A OG.B ALA 126.A O no hydrogen 2.595 N/A LEU 78.A N VAL 74.A O no hydrogen 3.130 N/A GLU 79.A N ALA 75.A O no hydrogen 3.056 N/A MET 80.A N ALA 76.A O no hydrogen 2.874 N/A ILE 81.A N SER 77.A O no hydrogen 3.131 N/A HIS 82.A N LEU 78.A O no hydrogen 2.976 N/A THR 83.A N GLU 79.A O no hydrogen 2.866 N/A THR 83.A OG1 GLU 79.A O no hydrogen 2.711 N/A TYR 84.A N MET 80.A O no hydrogen 2.891 N/A SER 85.A N ILE 81.A O no hydrogen 2.952 N/A SER 85.A OG HIS 82.A O no hydrogen 2.816 N/A LEU 86.A N HIS 82.A O no hydrogen 3.198 N/A ILE 87.A N THR 83.A O no hydrogen 3.172 N/A HIS 88.A N TYR 84.A O no hydrogen 3.147 N/A HIS 88.A NE2 ILE 116.A O no hydrogen 2.969 N/A ASP 89.A N SER 85.A O no hydrogen 2.785 N/A ASP 90.A N LEU 86.A O no hydrogen 2.859 N/A LEU 91.A N HIS 88.A O no hydrogen 3.205 N/A MET 94.A N LEU 91.A O no hydrogen 2.777 N/A ASP 95.A N ASP 89.A O no hydrogen 2.739 N/A ASP 96.A N LEU 91.A O no hydrogen 2.996 N/A ASP 97.A N ASP 90.A O no hydrogen 2.911 N/A ARG 100.A N LYS 103.A O no hydrogen 2.864 N/A ARG 100.A NE ASP 90.A OD2 no hydrogen 2.858 N/A ARG 100.A NH1 ASP 90.A OD1 no hydrogen 2.901 N/A ARG 101.A NH1 ALA 46.A O no hydrogen 3.030 N/A LYS 103.A N ARG 100.A O no hydrogen 3.097 N/A LYS 103.A NZ.B ALA 46.A O no hydrogen 3.282 N/A THR 105.A N ASP 98.A O no hydrogen 3.057 N/A THR 105.A OG1 ASP 97.A O no hydrogen 2.666 N/A ASN 106.A ND2 ALA 39.A O no hydrogen 2.859 N/A ASN 106.A ND2 SER 43.A OG no hydrogen 2.796 N/A VAL 109.A N THR 105.A O no hydrogen 3.104 N/A VAL 109.A N ASN 106.A O no hydrogen 3.130 N/A PHE 110.A N ASN 106.A O no hydrogen 2.904 N/A GLY 111.A N HIS 107.A O no hydrogen 2.917 N/A THR 114.A OG1 PHE 110.A O no hydrogen 3.302 N/A ALA 115.A N GLY 111.A O no hydrogen 3.281 N/A ILE 116.A N GLU 112.A O no hydrogen 2.880 N/A LEU 117.A N ALA 113.A O no hydrogen 3.061 N/A ALA 118.A N THR 114.A O no hydrogen 2.721 N/A GLY 119.A N ALA 115.A O no hydrogen 2.944 N/A ASP 120.A N ILE 116.A O no hydrogen 3.034 N/A GLY 121.A N LEU 117.A O no hydrogen 2.786 N/A LEU 122.A N ALA 118.A O no hydrogen 2.839 N/A LEU 123.A N GLY 119.A O no hydrogen 2.843 N/A THR 124.A N ASP 120.A O no hydrogen 3.034 N/A THR 124.A OG1 ASP 120.A O no hydrogen 2.852 N/A GLY 125.A N GLY 121.A O no hydrogen 2.780 N/A ALA 126.A N LEU 122.A O no hydrogen 2.892 N/A GLN 128.A N THR 124.A O no hydrogen 2.831 N/A LEU 129.A N GLY 125.A O no hydrogen 2.835 N/A LEU 130.A N ALA 126.A O no hydrogen 3.157 N/A SER 131.A N PHE 127.A O no hydrogen 2.954 N/A SER 131.A OG PHE 127.A O no hydrogen 3.529 N/A SER 131.A OG GLN 128.A O no hydrogen 2.653 N/A LEU 132.A N GLN 128.A O no hydrogen 2.966 N/A LEU 132.A N LEU 129.A O no hydrogen 3.101 N/A SER 133.A N LEU 130.A O no hydrogen 3.279 N/A SER 133.A OG LEU 130.A O no hydrogen 2.722 N/A GLN 134.A N GLN 73.A OE1 no hydrogen 2.761 N/A LYS 140.A N GLY 136.A O no hydrogen 2.891 N/A LYS 140.A NZ SER 131.A O no hydrogen 2.821 N/A LYS 140.A NZ SER 133.A O no hydrogen 2.889 N/A VAL 141.A N LEU 137.A O no hydrogen 3.130 N/A LEU 142.A N SER 138.A O no hydrogen 3.027 N/A LEU 143.A N GLU 139.A O no hydrogen 2.901 N/A MET 144.A N LYS 140.A O no hydrogen 2.993 N/A GLN 145.A N VAL 141.A O no hydrogen 2.956 N/A GLN 146.A N LEU 142.A O no hydrogen 2.926 N/A LEU 147.A N LEU 143.A O no hydrogen 2.838 N/A ALA 148.A N MET 144.A O no hydrogen 3.023 N/A LYS 149.A N GLN 145.A O no hydrogen 2.906 N/A ALA 150.A N GLN 146.A O no hydrogen 2.860 N/A ALA 151.A N LEU 147.A O no hydrogen 2.741 N/A GLY 152.A N ALA 148.A O no hydrogen 2.895 N/A GLY 155.A N GLY 152.A O no hydrogen 2.884 N/A MET 156.A N ALA 150.A O no hydrogen 2.817 N/A VAL 157.A N GLY 152.A O no hydrogen 3.167 N/A SER 158.A OG ASN 153.A O no hydrogen 2.516 N/A GLY 159.A N GLY 155.A O no hydrogen 2.942 N/A GLN 160.A N MET 156.A O no hydrogen 2.806 N/A GLN 160.A NE2.A ASP 89.A OD2 no hydrogen 3.076 N/A MET 161.A N VAL 157.A O no hydrogen 3.047 N/A GLY 162.A N SER 158.A O no hydrogen 2.872 N/A ASP 163.A N GLY 159.A O no hydrogen 2.872 N/A ILE 164.A N GLN 160.A O no hydrogen 3.157 N/A GLU 165.A N MET 161.A O no hydrogen 3.069 N/A GLY 166.A N GLY 162.A O no hydrogen 3.060 N/A GLU 167.A N ILE 164.A O no hydrogen 3.118 N/A VAL 169.A N GLU 165.A O no hydrogen 3.377 N/A THR 172.A N GLU 175.A OE1 no hydrogen 2.790 N/A THR 172.A OG1 GLU 174.A OE2 no hydrogen 3.563 N/A THR 172.A OG1 GLU 175.A OE1 no hydrogen 3.468 N/A GLU 175.A N THR 172.A OG1 no hydrogen 3.238 N/A LEU 176.A N THR 172.A O no hydrogen 2.951 N/A ALA 177.A N LEU 173.A O no hydrogen 2.933 N/A ALA 178.A N GLU 174.A O no hydrogen 3.197 N/A VAL 179.A N GLU 175.A O no hydrogen 2.923 N/A HIS 180.A N LEU 176.A O no hydrogen 2.858 N/A GLU 181.A N ALA 177.A O no hydrogen 2.887 N/A LYS 182.A N ALA 178.A O no hydrogen 3.228 N/A LYS 182.A N VAL 179.A O no hydrogen 3.199 N/A LYS 182.A NZ ALA 178.A O no hydrogen 3.229 N/A LYS 183.A N VAL 179.A O no hydrogen 2.868 N/A LYS 183.A NZ GLN 160.A OE1.B no hydrogen 3.119 N/A THR 184.A N HIS 180.A O no hydrogen 2.850 N/A GLY 185.A N HIS 180.A O no hydrogen 2.888 N/A GLU 189.A N GLY 185.A O no hydrogen 2.763 N/A PHE 190.A N ALA 186.A O no hydrogen 2.955 N/A ALA 191.A N LEU 187.A O no hydrogen 2.969 N/A LEU 192.A N ILE 188.A O no hydrogen 3.259 N/A ILE 193.A N GLU 189.A O no hydrogen 2.984 N/A ALA 194.A N PHE 190.A O no hydrogen 2.770 N/A GLY 195.A N ALA 191.A O no hydrogen 2.965 N/A GLY 196.A N LEU 192.A O no hydrogen 2.939 N/A VAL 197.A N ILE 193.A O no hydrogen 2.961 N/A LEU 198.A N ALA 194.A O no hydrogen 2.854 N/A ALA 199.A N GLY 195.A O no hydrogen 3.069 N/A ASN 200.A N VAL 197.A O no hydrogen 3.144 N/A GLN 201.A N GLY 196.A O no hydrogen 2.923 N/A GLN 201.A NE2 ALA 199.A O no hydrogen 3.157 N/A VAL 205.A N THR 202.A OG1 no hydrogen 3.375 N/A ILE 206.A N THR 202.A O no hydrogen 2.876 N/A GLY 207.A N GLU 203.A O no hydrogen 3.095 N/A LEU 208.A N GLU 204.A O no hydrogen 3.203 N/A LEU 209.A N VAL 205.A O no hydrogen 2.777 N/A THR 210.A N ILE 206.A O no hydrogen 2.958 N/A THR 210.A OG1 ILE 206.A O no hydrogen 2.794 N/A GLN 211.A N GLY 207.A O no hydrogen 3.351 N/A PHE 212.A N LEU 208.A O no hydrogen 2.963 N/A ALA 213.A N LEU 209.A O no hydrogen 2.950 N/A HIS 214.A N THR 210.A O no hydrogen 2.975 N/A HIS 215.A N GLN 211.A O no hydrogen 3.026 N/A HIS 215.A ND1 GLN 250.A OE1 no hydrogen 2.621 N/A TYR 216.A N PHE 212.A O no hydrogen 2.712 N/A GLY 217.A N ALA 213.A O no hydrogen 2.658 N/A LEU 218.A N HIS 214.A O no hydrogen 3.108 N/A ALA 219.A N HIS 215.A O no hydrogen 2.848 N/A PHE 220.A N TYR 216.A O no hydrogen 2.861 N/A GLN 221.A N GLY 217.A O no hydrogen 3.399 N/A GLN 221.A NE2 THR 184.A OG1 no hydrogen 3.029 N/A ILE 222.A N LEU 218.A O no hydrogen 2.948 N/A ARG 223.A N ALA 219.A O no hydrogen 2.990 N/A ARG 223.A NE LEU 280.A O no hydrogen 3.217 N/A ARG 223.A NH2 GLN 279.A O no hydrogen 2.860 N/A ASP 224.A N PHE 220.A O no hydrogen 3.095 N/A ASP 225.A N GLN 221.A O no hydrogen 2.891 N/A LEU 226.A N ILE 222.A O no hydrogen 2.924 N/A LEU 227.A N ARG 223.A O no hydrogen 3.221 N/A LEU 227.A N ASP 224.A O no hydrogen 3.286 N/A ASP 228.A N ASP 224.A O no hydrogen 3.423 N/A THR 230.A OG1 LEU 226.A O no hydrogen 3.058 N/A THR 230.A OG1 LEU 227.A O no hydrogen 2.810 N/A SER 231.A OG LEU 227.A O no hydrogen 3.503 N/A ALA 236.A N THR 233.A OG1 no hydrogen 3.025 N/A LEU 237.A N THR 233.A O no hydrogen 3.034 N/A LEU 238.A N TYR 234.A O no hydrogen 2.850 N/A GLY 239.A N PRO 235.A O no hydrogen 2.605 N/A ALA 243.A N GLY 239.A O no hydrogen 3.058 N/A LYS 244.A N ILE 240.A O no hydrogen 3.021 N/A ASP 245.A N ALA 241.A O no hydrogen 3.233 N/A ALA 246.A N GLY 242.A O no hydrogen 2.924 N/A LEU 247.A N ALA 243.A O no hydrogen 2.966 N/A THR 248.A N LYS 244.A O no hydrogen 3.050 N/A THR 248.A OG1 LYS 244.A O no hydrogen 2.958 N/A HIS 249.A N ASP 245.A O no hydrogen 2.999 N/A GLN 250.A N ALA 246.A O no hydrogen 3.149 N/A LEU 251.A N LEU 247.A O no hydrogen 2.983 N/A ALA 252.A N THR 248.A O no hydrogen 2.863 N/A GLU 253.A N HIS 249.A O no hydrogen 2.842 N/A GLY 254.A N GLN 250.A O no hydrogen 2.768 N/A SER 255.A N LEU 251.A O no hydrogen 2.905 N/A SER 255.A OG LEU 251.A O no hydrogen 2.964 N/A ALA 256.A N ALA 252.A O no hydrogen 2.860 N/A VAL 257.A N GLU 253.A O no hydrogen 2.905 N/A LEU 258.A N GLY 254.A O no hydrogen 2.977 N/A GLU 259.A N SER 255.A O no hydrogen 2.833 N/A LYS 260.A N ALA 256.A O no hydrogen 3.124 N/A ILE 261.A N VAL 257.A O no hydrogen 3.021 N/A LYS 262.A N LEU 258.A O no hydrogen 2.831 N/A LYS 262.A NZ PHE 268.A O no hydrogen 2.932 N/A ALA 263.A N GLU 259.A O no hydrogen 3.053 N/A ASN 264.A N LYS 260.A O no hydrogen 3.223 N/A ASN 264.A ND2 LYS 260.A O no hydrogen 2.827 N/A VAL 265.A N ILE 261.A O no hydrogen 2.812 N/A ASN 267.A ND2 GLN 64.A OE1 no hydrogen 3.302 N/A SER 269.A N ALA 62.A O no hydrogen 2.709 N/A HIS 272.A NE2 HIS 6.A O no hydrogen 2.793 N/A ALA 274.A N GLU 270.A O no hydrogen 2.780 N/A ASN 275.A N GLU 271.A O no hydrogen 2.794 N/A LEU 277.A N LEU 273.A O no hydrogen 3.351 N/A THR 278.A N ALA 274.A O no hydrogen 2.866 N/A THR 278.A OG1 ALA 274.A O no hydrogen 3.069 N/A GLN 279.A N ASN 275.A O no hydrogen 2.906 N/A LEU 280.A N LEU 277.A O no hydrogen 3.125 N/A GLN 281.A N THR 278.A O no hydrogen 3.123 N/A