Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8ay8_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A SG HIS 42.A NE2 no hydrogen 3.473 N/A GLY 6.A N VAL 291.A O no hydrogen 2.857 N/A THR 7.A N GLN 268.A OE1 no hydrogen 2.850 N/A VAL 8.A N ILE 289.A O no hydrogen 3.035 N/A SER 9.A OG SER 288.A OG no hydrogen 2.648 N/A ILE 10.A N ILE 287.A O no hydrogen 2.756 N/A GLN 11.A NE2 ARG 14.A O no hydrogen 2.955 N/A ARG 14.A NH1 ASP 285.A OD1 no hydrogen 3.167 N/A GLU 18.A N ASN 286.A OD1 no hydrogen 2.840 N/A ALA 20.A N TYR 47.A O no hydrogen 2.717 N/A ALA 22.A N GLY 45.A O no hydrogen 2.857 N/A SER 24.A N PHE 43.A O no hydrogen 2.815 N/A HIS 26.A N HIS 42.A ND1 no hydrogen 2.801 N/A PHE 27.A N GLY 41.A O no hydrogen 2.926 N/A LEU 28.A N GLY 41.A O no hydrogen 3.156 N/A LYS 29.A NZ HIS 26.A O no hydrogen 2.482 N/A LEU 30.A N LEU 39.A O no hydrogen 2.864 N/A ILE 32.A N THR 37.A O no hydrogen 3.473 N/A MET 34.A N PRO 31.A O no hydrogen 2.916 N/A LEU 35.A N ILE 32.A O no hydrogen 3.030 N/A MET 36.A N ILE 32.A O no hydrogen 3.050 N/A LEU 39.A N LEU 30.A O no hydrogen 2.956 N/A GLY 41.A N LEU 28.A O no hydrogen 2.657 N/A HIS 42.A N VAL 127.A O no hydrogen 2.856 N/A HIS 42.A NE2 CYS 1.A O no hydrogen 3.124 N/A PHE 43.A N SER 24.A O no hydrogen 2.930 N/A PHE 44.A N ALA 125.A O no hydrogen 2.991 N/A GLY 45.A N ALA 22.A O no hydrogen 2.813 N/A VAL 46.A N VAL 123.A O no hydrogen 2.940 N/A TYR 47.A N ALA 20.A O no hydrogen 2.775 N/A ASP 48.A N THR 121.A OG1 no hydrogen 2.995 N/A GLY 49.A N GLU 18.A O no hydrogen 2.804 N/A HIS 50.A N GLY 119.A O no hydrogen 2.940 N/A HIS 50.A NE2 ASP 195.A OD1 no hydrogen 3.167 N/A HIS 50.A NE2 ASP 195.A OD2 no hydrogen 2.709 N/A ASP 57.A N HIS 53.A O no hydrogen 2.950 N/A TYR 58.A N LYS 54.A O no hydrogen 2.957 N/A TYR 58.A OH GLU 98.A OE1 no hydrogen 2.706 N/A CYS 59.A N VAL 55.A O no hydrogen 2.923 N/A CYS 59.A SG VAL 55.A O no hydrogen 3.529 N/A ARG 60.A N ALA 56.A O no hydrogen 3.000 N/A ARG 60.A NE ASP 61.A OD1 no hydrogen 3.393 N/A ASP 61.A N ASP 57.A O no hydrogen 3.027 N/A ARG 62.A N TYR 58.A O no hydrogen 2.863 N/A ARG 62.A N CYS 59.A O no hydrogen 3.332 N/A ARG 62.A NE GLU 98.A OE1 no hydrogen 3.038 N/A ARG 62.A NE GLU 98.A OE2 no hydrogen 3.429 N/A ARG 62.A NH1 GLU 69.A OE1 no hydrogen 3.535 N/A ARG 62.A NH1 GLU 69.A OE2 no hydrogen 2.920 N/A ARG 62.A NH2 GLU 69.A OE1 no hydrogen 2.890 N/A ARG 62.A NH2 GLU 98.A OE2 no hydrogen 3.017 N/A LEU 63.A N CYS 59.A O no hydrogen 2.918 N/A ALA 66.A N ARG 62.A O no hydrogen 2.987 N/A LEU 67.A N LEU 63.A O no hydrogen 2.954 N/A ALA 68.A N HIS 64.A O no hydrogen 2.954 N/A GLU 69.A N PHE 65.A O no hydrogen 2.968 N/A GLU 70.A N ALA 66.A O no hydrogen 3.105 N/A ILE 71.A N LEU 67.A O no hydrogen 2.976 N/A GLU 72.A N ALA 68.A O no hydrogen 2.850 N/A ARG 73.A N GLU 69.A O no hydrogen 3.093 N/A ILE 74.A N GLU 70.A O no hydrogen 3.300 N/A LYS 75.A N ILE 71.A O no hydrogen 2.843 N/A ASP 76.A N GLU 72.A O no hydrogen 2.944 N/A GLU 77.A N ARG 73.A O no hydrogen 2.956 N/A LEU 78.A N ILE 74.A O no hydrogen 2.757 N/A ARG 80.A NE LYS 33.A O no hydrogen 2.914 N/A ARG 80.A NH2 LYS 33.A O no hydrogen 3.186 N/A VAL 82.A N GLY 79.A O no hydrogen 3.087 N/A GLN 83.A N GLY 79.A O no hydrogen 2.911 N/A TRP 84.A N ARG 80.A O no hydrogen 3.209 N/A TRP 84.A NE1 MET 34.A O no hydrogen 3.154 N/A ASP 85.A N GLN 81.A O no hydrogen 3.383 N/A LYS 86.A N VAL 82.A O no hydrogen 3.130 N/A VAL 87.A N GLN 83.A O no hydrogen 2.920 N/A PHE 88.A N TRP 84.A O no hydrogen 2.976 N/A THR 89.A N ASP 85.A O no hydrogen 2.868 N/A THR 89.A OG1 ASP 85.A O no hydrogen 2.532 N/A SER 90.A N LYS 86.A O no hydrogen 2.917 N/A SER 90.A OG GLU 70.A OE1 no hydrogen 2.683 N/A CYS 91.A N VAL 87.A O no hydrogen 3.036 N/A CYS 91.A SG LEU 63.A O no hydrogen 3.777 N/A PHE 92.A N PHE 88.A O no hydrogen 2.885 N/A LEU 93.A N THR 89.A O no hydrogen 2.891 N/A THR 94.A N SER 90.A O no hydrogen 2.922 N/A THR 94.A OG1 SER 90.A O no hydrogen 2.852 N/A VAL 95.A N CYS 91.A O no hydrogen 3.107 N/A ASP 96.A N PHE 92.A O no hydrogen 2.969 N/A GLY 97.A N LEU 93.A O no hydrogen 2.932 N/A GLU 98.A N THR 94.A O no hydrogen 2.944 N/A ILE 99.A N VAL 95.A O no hydrogen 2.918 N/A GLU 100.A N ASP 96.A O no hydrogen 3.043 N/A GLY 101.A N GLU 98.A O no hydrogen 3.190 N/A LYS 102.A N GLY 97.A O no hydrogen 3.017 N/A LYS 102.A NZ GLU 100.A OE1 no hydrogen 2.666 N/A ILE 103.A N GLY 97.A O no hydrogen 3.148 N/A ARG 105.A N VAL 109.A O no hydrogen 2.770 N/A ARG 105.A NE GLU 111.A O no hydrogen 3.115 N/A ARG 105.A NH2 GLU 111.A O no hydrogen 2.841 N/A VAL 109.A N ARG 105.A O no hydrogen 2.516 N/A VAL 113.A N ILE 99.A O no hydrogen 2.862 N/A SER 115.A OG THR 117.A OG1 no hydrogen 3.265 N/A THR 117.A OG1 SER 115.A OG no hydrogen 3.265 N/A VAL 118.A N SER 115.A O no hydrogen 3.205 N/A GLY 119.A N HIS 50.A O no hydrogen 2.976 N/A SER 120.A N ILE 193.A O no hydrogen 2.855 N/A SER 120.A OG THR 121.A O no hydrogen 2.794 N/A THR 121.A N ASP 48.A O no hydrogen 2.961 N/A THR 121.A OG1 SER 140.A OG no hydrogen 2.616 N/A ALA 122.A N CYS 137.A O no hydrogen 2.793 N/A VAL 123.A N VAL 46.A O no hydrogen 3.051 N/A VAL 124.A N SER 135.A O no hydrogen 2.952 N/A ALA 125.A N PHE 44.A O no hydrogen 2.786 N/A LEU 126.A N VAL 133.A O no hydrogen 2.736 N/A VAL 127.A N HIS 42.A O no hydrogen 2.992 N/A CYS 128.A N HIS 131.A O no hydrogen 2.991 N/A CYS 128.A SG SER 130.A OG no hydrogen 3.692 N/A CYS 128.A SG HIS 131.A O no hydrogen 3.646 N/A SER 130.A OG HIS 131.A ND1 no hydrogen 2.528 N/A HIS 131.A ND1 SER 130.A OG no hydrogen 2.528 N/A ILE 132.A N MET 211.A O no hydrogen 2.849 N/A VAL 133.A N LEU 126.A O no hydrogen 2.849 N/A VAL 134.A N THR 209.A O no hydrogen 2.848 N/A SER 135.A N VAL 124.A O no hydrogen 3.017 N/A ASN 136.A N GLU 207.A O no hydrogen 2.850 N/A ASN 136.A ND2 GLY 138.A O no hydrogen 3.260 N/A CYS 137.A N ALA 122.A O no hydrogen 2.812 N/A CYS 137.A SG PRO 204.A O no hydrogen 3.864 N/A GLY 138.A N HIS 157.A ND1 no hydrogen 3.065 N/A SER 140.A OG THR 121.A OG1 no hydrogen 2.616 N/A ARG 141.A N ALA 223.A O no hydrogen 3.085 N/A ARG 141.A NE ASP 156.A OD1 no hydrogen 3.225 N/A ARG 141.A NH1 ASN 233.A OD1 no hydrogen 2.740 N/A ARG 141.A NH2 ASP 156.A OD2 no hydrogen 2.721 N/A ALA 142.A N SER 154.A OG no hydrogen 3.067 N/A VAL 143.A N ILE 221.A O no hydrogen 2.864 N/A LEU 144.A N MET 151.A O no hydrogen 2.794 N/A PHE 145.A N CYS 219.A O no hydrogen 2.864 N/A ARG 146.A N GLU 149.A O no hydrogen 2.963 N/A ARG 146.A NE ASP 217.A OD1 no hydrogen 2.550 N/A ARG 146.A NH2 PRO 212.A O no hydrogen 2.933 N/A ARG 146.A NH2 ASP 217.A OD1 no hydrogen 3.058 N/A ARG 146.A NH2 ASP 217.A OD2 no hydrogen 3.388 N/A GLY 147.A N GLU 216.A O no hydrogen 2.900 N/A GLU 149.A N ARG 146.A O no hydrogen 2.936 N/A ALA 150.A N GLN 234.A OE1 no hydrogen 3.105 N/A MET 151.A N LEU 144.A O no hydrogen 2.631 N/A LEU 153.A N ALA 142.A O no hydrogen 2.763 N/A HIS 157.A N GLY 138.A O no hydrogen 2.913 N/A LYS 158.A N ASP 156.A O no hydrogen 3.086 N/A LYS 158.A NZ ASP 139.A OD2 no hydrogen 3.202 N/A LYS 158.A NZ ALA 188.A O no hydrogen 3.070 N/A ASP 160.A N ASP 160.A OD1 no hydrogen 2.522 N/A ARG 161.A N LYS 158.A O no hydrogen 3.033 N/A ARG 161.A NE ASP 163.A OD1 no hydrogen 2.756 N/A ARG 161.A NH1 ASP 156.A O no hydrogen 3.214 N/A ARG 161.A NH2 ASP 163.A OD2 no hydrogen 2.905 N/A GLU 164.A N ASP 163.A OD1 no hydrogen 2.914 N/A TYR 165.A N ARG 161.A O no hydrogen 2.751 N/A ALA 166.A N GLU 162.A O no hydrogen 3.080 N/A ARG 167.A N ASP 163.A O no hydrogen 2.903 N/A ARG 167.A NE GLU 164.A OE1 no hydrogen 3.002 N/A ARG 167.A NH1 TYR 201.A O no hydrogen 2.979 N/A ARG 167.A NH2 GLU 164.A OE2 no hydrogen 3.012 N/A ARG 167.A NH2 TYR 201.A O no hydrogen 3.212 N/A ILE 168.A N GLU 164.A O no hydrogen 2.887 N/A GLU 169.A N TYR 165.A O no hydrogen 3.102 N/A ASN 170.A N ALA 166.A O no hydrogen 2.854 N/A ALA 171.A N ARG 167.A O no hydrogen 3.013 N/A GLY 172.A N GLU 169.A O no hydrogen 3.089 N/A GLY 173.A N ILE 168.A O no hydrogen 2.795 N/A LYS 174.A NZ GLU 169.A OE2 no hydrogen 3.365 N/A ILE 176.A N ARG 182.A O no hydrogen 3.034 N/A TRP 178.A N GLY 180.A O no hydrogen 2.828 N/A ARG 182.A N ILE 176.A O no hydrogen 2.945 N/A ARG 182.A NE TRP 178.A O no hydrogen 2.909 N/A ARG 182.A NE GLN 179.A O no hydrogen 2.996 N/A ARG 182.A NH1 VAL 186.A O no hydrogen 2.920 N/A ARG 182.A NH2 GLN 179.A O no hydrogen 3.177 N/A VAL 183.A N LEU 187.A O no hydrogen 2.798 N/A PHE 184.A N LYS 174.A O no hydrogen 2.780 N/A GLY 185.A N ARG 182.A O no hydrogen 3.050 N/A VAL 186.A N VAL 183.A O no hydrogen 2.951 N/A LEU 187.A N VAL 183.A O no hydrogen 3.486 N/A SER 190.A N HIS 157.A O no hydrogen 2.899 N/A SER 190.A OG GLU 164.A OE2 no hydrogen 2.728 N/A ARG 191.A NE GLU 164.A OE1 no hydrogen 3.400 N/A ARG 191.A NE GLU 164.A OE2 no hydrogen 2.937 N/A ARG 191.A NH1 GLU 205.A O no hydrogen 2.826 N/A ARG 191.A NH2 GLU 164.A OE1 no hydrogen 2.923 N/A SER 192.A N ILE 203.A O no hydrogen 3.049 N/A SER 192.A OG ASP 195.A OD2 no hydrogen 2.506 N/A ILE 193.A N SER 120.A O no hydrogen 2.820 N/A GLY 194.A N ASP 96.A OD1 no hydrogen 2.530 N/A ASP 195.A N VAL 118.A O no hydrogen 2.872 N/A TYR 197.A N GLU 116.A O no hydrogen 3.220 N/A LEU 198.A N ASP 195.A O no hydrogen 2.985 N/A LYS 199.A N ARG 196.A O no hydrogen 3.224 N/A TYR 201.A N LEU 198.A O no hydrogen 2.822 N/A VAL 202.A N LEU 198.A O no hydrogen 2.936 N/A GLU 207.A N ASN 136.A O no hydrogen 2.859 N/A THR 209.A N VAL 134.A O no hydrogen 2.699 N/A THR 209.A OG1 LEU 153.A O no hydrogen 2.965 N/A MET 211.A N ILE 132.A O no hydrogen 2.824 N/A ARG 213.A N SER 130.A O no hydrogen 2.920 N/A ARG 213.A NH1 CYS 128.A O no hydrogen 2.881 N/A SER 214.A N ASP 217.A OD2 no hydrogen 2.760 N/A GLU 216.A N SER 214.A OG no hydrogen 2.850 N/A ASP 217.A N SER 214.A O no hydrogen 2.989 N/A GLU 218.A N PHE 145.A O no hydrogen 2.803 N/A CYS 219.A SG CYS 237.A O no hydrogen 4.000 N/A LEU 220.A N ILE 292.A O no hydrogen 2.815 N/A ILE 221.A N VAL 143.A O no hydrogen 2.973 N/A LEU 222.A N ILE 290.A O no hydrogen 3.049 N/A ALA 223.A N ARG 141.A O no hydrogen 3.040 N/A SER 224.A N SER 288.A O no hydrogen 3.010 N/A SER 224.A OG ASP 19.A OD2 no hydrogen 2.813 N/A LEU 227.A N SER 224.A O no hydrogen 3.014 N/A TRP 228.A NE1 ALA 223.A O no hydrogen 2.928 N/A ASP 229.A N ASP 225.A O no hydrogen 2.821 N/A VAL 230.A N LEU 227.A O no hydrogen 3.140 N/A MET 231.A N LEU 227.A O no hydrogen 3.172 N/A GLN 234.A NE2 LYS 148.A O no hydrogen 2.863 N/A GLN 234.A NE2 GLU 238.A OE2 no hydrogen 2.825 N/A GLU 235.A N ASN 232.A OD1 no hydrogen 2.867 N/A VAL 236.A N ASN 232.A O no hydrogen 2.933 N/A CYS 237.A N ASN 233.A O no hydrogen 3.212 N/A CYS 237.A SG ASN 233.A O no hydrogen 3.605 N/A GLU 238.A N GLN 234.A O no hydrogen 3.069 N/A ILE 239.A N GLU 235.A O no hydrogen 2.918 N/A ALA 240.A N VAL 236.A O no hydrogen 2.989 N/A ARG 241.A N CYS 237.A O no hydrogen 2.942 N/A ARG 241.A NE GLU 218.A OE2 no hydrogen 3.283 N/A ARG 242.A N GLU 238.A O no hydrogen 2.842 N/A ARG 243.A N ILE 239.A O no hydrogen 2.808 N/A ILE 244.A N ALA 240.A O no hydrogen 2.896 N/A LEU 245.A N ARG 241.A O no hydrogen 2.950 N/A MET 246.A N ARG 242.A O no hydrogen 2.878 N/A TRP 247.A N ARG 243.A O no hydrogen 3.100 N/A HIS 248.A N ILE 244.A O no hydrogen 3.155 N/A HIS 248.A ND1 GLY 252.A O no hydrogen 2.946 N/A LYS 249.A N LEU 245.A O no hydrogen 2.792 N/A LYS 250.A N MET 246.A O no hydrogen 3.026 N/A ASN 251.A N TRP 247.A O no hydrogen 2.863 N/A ASN 251.A ND2 TRP 247.A O no hydrogen 2.921 N/A GLY 252.A N HIS 248.A O no hydrogen 2.844 N/A GLU 258.A N PRO 255.A O no hydrogen 2.771 N/A ARG 259.A N PRO 255.A O no hydrogen 3.258 N/A ARG 259.A N LEU 256.A O no hydrogen 3.314 N/A ARG 259.A NH2 ASP 264.A OD1 no hydrogen 2.767 N/A LYS 261.A N GLU 258.A O no hydrogen 3.399 N/A ASP 264.A N TRP 5.A O no hydrogen 2.789 N/A CYS 267.A N ASP 264.A OD2 no hydrogen 3.050 N/A CYS 267.A SG ASP 264.A OD2 no hydrogen 3.413 N/A CYS 267.A SG VAL 291.A O no hydrogen 3.754 N/A GLN 268.A N ASP 264.A O no hydrogen 2.895 N/A GLN 268.A NE2 THR 7.A O no hydrogen 2.746 N/A ALA 269.A N PRO 265.A O no hydrogen 2.984 N/A ALA 270.A N ALA 266.A O no hydrogen 3.134 N/A ALA 271.A N CYS 267.A O no hydrogen 2.946 N/A ASP 272.A N GLN 268.A O no hydrogen 2.843 N/A TYR 273.A N ALA 269.A O no hydrogen 2.890 N/A LEU 274.A N ALA 270.A O no hydrogen 2.926 N/A SER 275.A N ALA 271.A O no hydrogen 3.009 N/A SER 275.A OG ALA 271.A O no hydrogen 3.540 N/A SER 275.A OG ASP 272.A O no hydrogen 2.829 N/A MET 276.A N ASP 272.A O no hydrogen 3.022 N/A LEU 277.A N TYR 273.A O no hydrogen 2.969 N/A ALA 278.A N LEU 274.A O no hydrogen 2.970 N/A LEU 279.A N SER 275.A O no hydrogen 3.082 N/A GLN 280.A N MET 276.A O no hydrogen 2.881 N/A LYS 281.A N LEU 277.A O no hydrogen 2.883 N/A GLY 282.A N LEU 279.A O no hydrogen 2.891 N/A SER 283.A N ALA 278.A O no hydrogen 3.031 N/A SER 283.A OG GLY 226.A O no hydrogen 2.874 N/A LYS 284.A NZ GLY 282.A O no hydrogen 2.523 N/A ASN 286.A N ASP 285.A OD1 no hydrogen 2.733 N/A ASN 286.A ND2 GLN 11.A O no hydrogen 2.843 N/A ASN 286.A ND2 GLU 16.A O no hydrogen 3.111 N/A ILE 287.A N ILE 10.A O no hydrogen 2.873 N/A SER 288.A N SER 224.A OG no hydrogen 3.054 N/A SER 288.A OG SER 9.A OG no hydrogen 2.648 N/A SER 288.A OG ASP 19.A OD2 no hydrogen 2.762 N/A ILE 289.A N VAL 8.A O no hydrogen 2.839 N/A ILE 290.A N LEU 222.A O no hydrogen 2.834 N/A VAL 291.A N GLY 6.A O no hydrogen 2.922 N/A ILE 292.A N LEU 220.A O no hydrogen 2.874 N/A ASP 293.A N LEU 4.A O no hydrogen 2.978 N/A LEU 294.A N GLU 218.A O no hydrogen 2.966 N/A LYS 295.A N ASP 293.A OD1 no hydrogen 2.994 N/A LYS 295.A NZ ARG 215.A O no hydrogen 3.008 N/A ARG 298.A NE ASP 293.A OD1 no hydrogen 3.060 N/A ARG 298.A NE ASP 293.A OD2 no hydrogen 2.960 N/A ARG 298.A NH1 GLU 218.A OE1 no hydrogen 2.970 N/A ARG 298.A NH2 GLU 218.A OE1 no hydrogen 3.047 N/A ARG 298.A NH2 ASP 293.A OD1 no hydrogen 2.834 N/A