Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5a9r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N ASP 26.A O no hydrogen 2.948 N/A THR 5.A N LEU 60.A O no hydrogen 3.039 N/A THR 5.A OG1 ALA 54.A O no hydrogen 2.742 N/A THR 5.A OG1 SER 58.A OG no hydrogen 2.727 N/A VAL 6.A N THR 28.A O no hydrogen 2.862 N/A ALA 7.A N VAL 62.A O no hydrogen 2.938 N/A GLY 8.A N TRP 30.A O no hydrogen 2.863 N/A SER 14.A N GLY 10.A O no hydrogen 2.765 N/A SER 14.A OG LEU 9.A O no hydrogen 2.780 N/A SER 14.A OG GLY 10.A O no hydrogen 3.026 N/A ALA 15.A N PRO 11.A O no hydrogen 3.076 N/A LEU 16.A N MET 12.A O no hydrogen 2.887 N/A ALA 17.A N GLY 13.A O no hydrogen 2.998 N/A ALA 18.A N SER 14.A O no hydrogen 2.892 N/A ALA 19.A N ALA 15.A O no hydrogen 2.974 N/A LEU 20.A N LEU 16.A O no hydrogen 2.938 N/A LEU 21.A N ALA 17.A O no hydrogen 2.929 N/A ASP 22.A N ALA 18.A O no hydrogen 2.937 N/A ARG 23.A N ALA 19.A O no hydrogen 3.131 N/A GLY 24.A N LEU 21.A O no hydrogen 3.012 N/A HIS 25.A N LEU 20.A O no hydrogen 3.144 N/A HIS 25.A ND1 LEU 20.A O no hydrogen 3.226 N/A ASP 26.A N LEU 2.A O no hydrogen 3.413 N/A THR 28.A N VAL 4.A O no hydrogen 2.861 N/A VAL 29.A N ARG 46.A O no hydrogen 2.870 N/A TRP 30.A N VAL 6.A O no hydrogen 2.999 N/A VAL 41.A N ALA 37.A O no hydrogen 2.959 N/A ALA 42.A N ALA 38.A O no hydrogen 2.878 N/A LYS 43.A N LEU 40.A O no hydrogen 2.984 N/A GLY 44.A N VAL 41.A O no hydrogen 2.928 N/A ALA 45.A N LEU 40.A O no hydrogen 2.905 N/A ARG 46.A N VAL 27.A O no hydrogen 2.849 N/A ARG 46.A NE ASP 26.A OD1 no hydrogen 2.771 N/A ARG 46.A NE ASP 26.A OD2 no hydrogen 3.414 N/A GLN 47.A NE2 ASP 49.A OD1 no hydrogen 3.247 N/A ALA 48.A N VAL 29.A O no hydrogen 2.991 N/A VAL 52.A N ASP 50.A OD1 no hydrogen 2.870 N/A ALA 54.A N ASP 50.A O no hydrogen 2.943 N/A VAL 55.A N ILE 51.A O no hydrogen 2.885 N/A SER 56.A N VAL 52.A O no hydrogen 3.004 N/A SER 56.A OG VAL 52.A O no hydrogen 2.798 N/A ALA 57.A N ALA 54.A O no hydrogen 3.332 N/A SER 58.A OG THR 5.A OG1 no hydrogen 2.727 N/A ARG 59.A NE GLY 84.A O no hydrogen 3.175 N/A ARG 59.A NH1 GLU 142.A OE1 no hydrogen 2.853 N/A ARG 59.A NH1 TYR 143.A OH no hydrogen 3.114 N/A ARG 59.A NH2 GLU 142.A OE1 no hydrogen 3.311 N/A LEU 61.A N VAL 86.A O no hydrogen 2.863 N/A VAL 62.A N THR 5.A O no hydrogen 2.779 N/A VAL 63.A N VAL 88.A O no hydrogen 2.882 N/A CYS 64.A N ALA 7.A O no hydrogen 2.879 N/A ASP 69.A N ALA 66.A O no hydrogen 3.006 N/A ALA 70.A N ASP 69.A OD1 no hydrogen 2.933 N/A SER 73.A N ALA 70.A O no hydrogen 3.108 N/A ALA 74.A N ALA 70.A O no hydrogen 2.954 N/A LEU 75.A N LEU 71.A O no hydrogen 2.909 N/A GLY 76.A N SER 73.A O no hydrogen 3.400 N/A ALA 78.A N LEU 75.A O no hydrogen 2.873 N/A ARG 79.A N GLY 76.A O no hydrogen 2.976 N/A LEU 82.A N ALA 78.A O no hydrogen 3.053 N/A LEU 82.A N ARG 79.A O no hydrogen 3.328 N/A ARG 83.A N GLU 80.A O no hydrogen 3.329 N/A GLY 84.A N GLY 109.A O no hydrogen 2.919 N/A ARG 85.A N LEU 82.A O no hydrogen 3.086 N/A ARG 85.A NE ALA 81.A O no hydrogen 2.759 N/A ARG 85.A NH1 SER 58.A O no hydrogen 2.844 N/A VAL 86.A N ARG 59.A O no hydrogen 2.910 N/A VAL 87.A N GLY 111.A O no hydrogen 2.819 N/A VAL 88.A N LEU 61.A O no hydrogen 2.902 N/A ASN 89.A N LEU 113.A O no hydrogen 2.915 N/A ASN 89.A ND2 TYR 112.A OH no hydrogen 2.919 N/A LEU 90.A N VAL 63.A O no hydrogen 2.834 N/A ASN 91.A N ASN 89.A OD1 no hydrogen 3.333 N/A ASN 91.A ND2 LEU 65.A O no hydrogen 2.745 N/A ASN 91.A ND2 ASP 67.A OD1 no hydrogen 3.030 N/A SER 92.A OG ASP 114.A OD1 no hydrogen 2.677 N/A GLU 97.A N THR 94.A OG1 no hydrogen 3.018 N/A ALA 98.A N THR 94.A O no hydrogen 3.049 N/A ASN 99.A N PRO 95.A O no hydrogen 2.893 N/A GLU 100.A N LYS 96.A O no hydrogen 2.911 N/A ALA 101.A N GLU 97.A O no hydrogen 2.883 N/A LEU 102.A N ALA 98.A O no hydrogen 3.010 N/A ARG 103.A N ASN 99.A O no hydrogen 3.180 N/A TRP 104.A N GLU 100.A O no hydrogen 2.884 N/A ALA 105.A N ALA 101.A O no hydrogen 2.900 N/A GLU 106.A N LEU 102.A O no hydrogen 2.897 N/A ARG 107.A N ARG 103.A O no hydrogen 3.098 N/A HIS 108.A N TRP 104.A O no hydrogen 3.281 N/A HIS 108.A N ALA 105.A O no hydrogen 2.993 N/A GLY 109.A N GLU 106.A O no hydrogen 3.007 N/A THR 110.A N ALA 105.A O no hydrogen 2.929 N/A THR 110.A OG1 GLY 111.A O no hydrogen 3.323 N/A GLY 111.A N ARG 85.A O no hydrogen 2.966 N/A TYR 112.A OH ASP 114.A OD1 no hydrogen 2.583 N/A LEU 113.A N VAL 87.A O no hydrogen 2.904 N/A ASP 114.A N SER 134.A O no hydrogen 2.791 N/A GLY 115.A N ASN 89.A O no hydrogen 2.796 N/A ALA 116.A N LEU 132.A O no hydrogen 2.766 N/A MET 118.A N VAL 130.A O no hydrogen 2.973 N/A MET 123.A N PRO 120.A O no hydrogen 2.904 N/A VAL 124.A N PRO 121.A O no hydrogen 3.084 N/A GLY 125.A N LEU 150.A O no hydrogen 2.853 N/A HIS 126.A N MET 123.A O no hydrogen 3.170 N/A SER 129.A N HIS 126.A O no hydrogen 3.082 N/A SER 129.A OG LEU 150.A O no hydrogen 2.709 N/A PHE 131.A N ASP 152.A O no hydrogen 3.025 N/A LEU 132.A N ALA 116.A O no hydrogen 2.964 N/A TYR 133.A N VAL 154.A O no hydrogen 2.737 N/A SER 134.A N ASP 114.A O no hydrogen 2.901 N/A SER 134.A OG ALA 160.A O no hydrogen 2.595 N/A GLY 135.A N GLY 157.A O no hydrogen 2.935 N/A SER 136.A N TYR 112.A O no hydrogen 3.078 N/A VAL 139.A N SER 136.A OG no hydrogen 3.027 N/A PHE 140.A N SER 136.A O no hydrogen 3.111 N/A GLU 141.A N ALA 137.A O no hydrogen 2.864 N/A GLU 142.A N GLU 138.A O no hydrogen 2.824 N/A TYR 143.A N VAL 139.A O no hydrogen 3.025 N/A LEU 147.A N TYR 143.A O no hydrogen 2.802 N/A ALA 148.A N LYS 144.A O no hydrogen 2.737 N/A GLY 149.A N THR 146.A O no hydrogen 3.150 N/A LEU 150.A N LEU 147.A O no hydrogen 2.891 N/A GLY 151.A N LEU 147.A O no hydrogen 3.439 N/A ASP 152.A N SER 129.A O no hydrogen 2.783 N/A VAL 154.A N PHE 131.A O no hydrogen 3.062 N/A LEU 156.A N TYR 133.A O no hydrogen 2.794 N/A GLU 159.A N GLU 159.A OE1 no hydrogen 2.951 N/A GLY 161.A N ASN 99.A OD1 no hydrogen 2.856 N/A LEU 162.A N GLU 159.A O no hydrogen 3.207 N/A ALA 163.A N SER 134.A OG no hydrogen 3.070 N/A LEU 165.A N GLY 161.A O no hydrogen 3.073 N/A TYR 166.A N LEU 162.A O no hydrogen 2.768 N/A ASN 167.A N ALA 163.A O no hydrogen 2.858 N/A THR 168.A N VAL 164.A O no hydrogen 2.850 N/A THR 168.A OG1 VAL 164.A O no hydrogen 2.827 N/A ALA 169.A N LEU 165.A O no hydrogen 2.883 N/A LEU 170.A N TYR 166.A O no hydrogen 2.876 N/A LEU 171.A N ASN 167.A O no hydrogen 2.864 N/A SER 172.A N THR 168.A O no hydrogen 2.913 N/A MET 173.A N ALA 169.A O no hydrogen 2.981 N/A MET 174.A N LEU 170.A O no hydrogen 2.882 N/A TYR 175.A N LEU 171.A O no hydrogen 3.012 N/A SER 176.A N SER 172.A O no hydrogen 3.277 N/A SER 177.A N MET 173.A O no hydrogen 2.904 N/A SER 177.A OG MET 173.A O no hydrogen 2.839 N/A MET 178.A N MET 174.A O no hydrogen 2.879 N/A ASN 179.A N TYR 175.A O no hydrogen 2.942 N/A GLY 180.A N SER 176.A O no hydrogen 2.934 N/A PHE 181.A N SER 177.A O no hydrogen 2.845 N/A LEU 182.A N MET 178.A O no hydrogen 2.877 N/A HIS 183.A N ASN 179.A O no hydrogen 3.030 N/A HIS 183.A NE2 SER 248.A OG.A no hydrogen 3.223 N/A HIS 183.A NE2 ASP 254.A O no hydrogen 3.107 N/A ALA 184.A N GLY 180.A O no hydrogen 2.990 N/A ALA 185.A N PHE 181.A O no hydrogen 2.728 N/A ALA 186.A N LEU 182.A O no hydrogen 2.894 N/A LEU 187.A N HIS 183.A O no hydrogen 2.915 N/A VAL 188.A N ALA 184.A O no hydrogen 2.965 N/A GLY 189.A N ALA 185.A O no hydrogen 2.837 N/A SER 190.A N ALA 186.A O no hydrogen 3.047 N/A SER 190.A N LEU 187.A O no hydrogen 3.230 N/A SER 190.A OG LEU 187.A O no hydrogen 2.690 N/A ALA 191.A N VAL 188.A O no hydrogen 3.021 N/A GLY 192.A N GLY 189.A O no hydrogen 2.957 N/A VAL 193.A N VAL 188.A O no hydrogen 3.144 N/A PHE 198.A N PRO 194.A O no hydrogen 2.990 N/A THR 199.A N ALA 195.A O no hydrogen 3.042 N/A THR 199.A OG1 ALA 196.A O no hydrogen 2.743 N/A LYS 200.A N GLU 197.A O no hydrogen 3.102 N/A LYS 200.A NZ GLU 197.A OE1 no hydrogen 2.622 N/A ALA 202.A N PHE 198.A O no hydrogen 2.966 N/A VAL 203.A N THR 199.A O no hydrogen 2.866 N/A ASP 204.A N THR 199.A O no hydrogen 3.211 N/A PHE 206.A N LEU 201.A O no hydrogen 2.825 N/A LEU 207.A N ALA 202.A O no hydrogen 2.932 N/A ALA 209.A N TRP 205.A O no hydrogen 2.906 N/A VAL 210.A N PHE 206.A O no hydrogen 2.889 N/A ILE 211.A N PHE 206.A O no hydrogen 3.005 N/A GLY 212.A N LEU 207.A O no hydrogen 2.831 N/A GLN 213.A N PRO 208.A O no hydrogen 3.244 N/A ILE 214.A N VAL 210.A O no hydrogen 2.900 N/A ILE 215.A N ILE 211.A O no hydrogen 3.045 N/A LYS 216.A N GLY 212.A O no hydrogen 2.945 N/A ALA 217.A N GLN 213.A O no hydrogen 2.842 N/A GLU 218.A N ILE 214.A O no hydrogen 2.917 N/A GLU 218.A N ILE 215.A O no hydrogen 3.158 N/A ILE 222.A N GLU 218.A O no hydrogen 3.261 N/A ASP 223.A N ALA 219.A O no hydrogen 3.207 N/A GLU 224.A N PRO 220.A O no hydrogen 3.036 N/A GLY 225.A N THR 221.A O no hydrogen 3.033 N/A TYR 227.A OH GLU 283.A OE2 no hydrogen 2.456 N/A GLY 232.A N GLY 229.A O no hydrogen 2.874 N/A LEU 234.A N SER 276.A O no hydrogen 2.655 N/A GLU 235.A N GLY 274.A O no hydrogen 3.074 N/A MET 236.A N SER 233.A OG no hydrogen 3.242 N/A ASN 237.A N SER 233.A O no hydrogen 3.325 N/A VAL 238.A N LEU 234.A O no hydrogen 3.167 N/A THR 239.A N GLU 235.A O no hydrogen 3.413 N/A THR 240.A N MET 236.A O no hydrogen 3.264 N/A THR 240.A OG1 MET 236.A O no hydrogen 3.437 N/A LEU 241.A N ASN 237.A O no hydrogen 2.948 N/A LYS 242.A N VAL 238.A O no hydrogen 2.863 N/A HIS 243.A N THR 239.A O no hydrogen 3.068 N/A ILE 244.A N THR 240.A O no hydrogen 2.938 N/A ILE 245.A N LEU 241.A O no hydrogen 2.916 N/A GLY 246.A N LYS 242.A O no hydrogen 2.916 N/A THR 247.A N HIS 243.A O no hydrogen 2.918 N/A THR 247.A OG1 HIS 243.A O no hydrogen 3.470 N/A SER 248.A N ILE 244.A O no hydrogen 2.825 N/A SER 248.A OG.A HIS 183.A NE2 no hydrogen 3.223 N/A SER 248.A OG.A VAL 253.A O no hydrogen 2.943 N/A SER 248.A OG.A ASP 254.A O no hydrogen 3.306 N/A SER 248.A OG.B ILE 244.A O no hydrogen 2.820 N/A GLN 249.A N ILE 245.A O no hydrogen 2.985 N/A GLU 250.A N GLY 246.A O no hydrogen 3.003 N/A GLN 251.A N THR 247.A O no hydrogen 3.013 N/A GLN 251.A NE2 SER 190.A OG no hydrogen 2.823 N/A GLY 252.A N GLN 249.A O no hydrogen 2.989 N/A VAL 253.A N SER 248.A O no hydrogen 2.944 N/A GLU 256.A N ASP 254.A OD2 no hydrogen 2.817 N/A VAL 259.A N THR 255.A O no hydrogen 2.899 N/A ARG 260.A N GLU 256.A O no hydrogen 2.902 N/A ARG 260.A NE GLU 256.A OE2 no hydrogen 3.032 N/A ARG 260.A NH1 GLU 263.A OE1 no hydrogen 2.785 N/A ARG 260.A NH2 GLU 256.A OE2 no hydrogen 3.556 N/A ASN 261.A N ILE 257.A O no hydrogen 3.014 N/A LYS 262.A N PRO 258.A O no hydrogen 2.879 N/A LYS 262.A NZ ASP 266.A OD2 no hydrogen 2.894 N/A GLU 263.A N VAL 259.A O no hydrogen 2.863 N/A LEU 264.A N ARG 260.A O no hydrogen 3.148 N/A LEU 265.A N ASN 261.A O no hydrogen 3.310 N/A ASP 266.A N LYS 262.A O no hydrogen 2.869 N/A ARG 267.A N GLU 263.A O no hydrogen 2.968 N/A ALA 268.A N LEU 264.A O no hydrogen 3.212 N/A VAL 269.A N LEU 265.A O no hydrogen 2.916 N/A ALA 270.A N ASP 266.A O no hydrogen 2.846 N/A ALA 271.A N ARG 267.A O no hydrogen 2.827 N/A GLY 272.A N VAL 269.A O no hydrogen 2.856 N/A PHE 273.A N ALA 268.A O no hydrogen 2.838 N/A SER 276.A N PHE 273.A O no hydrogen 3.016 N/A SER 277.A N TYR 227.A O no hydrogen 2.809 N/A SER 280.A N SER 277.A O no hydrogen 3.063 N/A SER 280.A OG SER 277.A O no hydrogen 2.825 N/A VAL 281.A N TYR 278.A O no hydrogen 3.140 N/A ILE 282.A N TYR 279.A O no hydrogen 3.019 N/A GLU 283.A N SER 280.A O no hydrogen 2.857 N/A LEU 284.A N VAL 281.A O no hydrogen 2.934 N/A TRP 285.A N ILE 282.A O no hydrogen 2.869 N/A ARG 286.A NE GLU 283.A OE1 no hydrogen 3.036 N/A ARG 286.A NE GLU 283.A OE2 no hydrogen 3.482 N/A ARG 286.A NH2 GLU 283.A OE2 no hydrogen 3.105 N/A