Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8ay3_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A SG HIS 46.A NE2 no hydrogen 3.619 N/A GLY 6.A N VAL 295.A O no hydrogen 2.870 N/A VAL 7.A N GLN 272.A OE1 no hydrogen 2.882 N/A VAL 8.A N ILE 293.A O no hydrogen 3.049 N/A SER 9.A OG SER 292.A OG no hydrogen 2.693 N/A ILE 10.A N ILE 291.A O no hydrogen 2.721 N/A GLN 11.A NE2 ARG 14.A O no hydrogen 3.064 N/A ARG 14.A NE LYS 288.A O no hydrogen 3.149 N/A GLU 18.A N ASN 290.A OD1 no hydrogen 2.769 N/A ALA 20.A N TYR 51.A O no hydrogen 2.783 N/A ALA 22.A N GLY 49.A O no hydrogen 2.755 N/A SER 24.A N PHE 47.A O no hydrogen 2.835 N/A HIS 26.A N HIS 46.A ND1 no hydrogen 2.919 N/A PHE 27.A N GLY 45.A O no hydrogen 3.038 N/A LEU 28.A N GLY 45.A O no hydrogen 3.165 N/A LYS 29.A NZ HIS 26.A O no hydrogen 3.015 N/A LEU 30.A N LEU 43.A O no hydrogen 2.914 N/A MET 34.A N PRO 31.A O no hydrogen 2.872 N/A LEU 35.A N ILE 32.A O no hydrogen 2.772 N/A MET 36.A N ILE 32.A O no hydrogen 2.782 N/A LEU 43.A N LEU 30.A O no hydrogen 2.922 N/A GLY 45.A N LEU 28.A O no hydrogen 2.733 N/A HIS 46.A N VAL 131.A O no hydrogen 2.864 N/A HIS 46.A NE2 CYS 1.A O no hydrogen 3.118 N/A PHE 47.A N SER 24.A O no hydrogen 2.897 N/A PHE 48.A N ALA 129.A O no hydrogen 2.938 N/A GLY 49.A N ALA 22.A O no hydrogen 2.797 N/A VAL 50.A N VAL 127.A O no hydrogen 2.881 N/A TYR 51.A N ALA 20.A O no hydrogen 2.808 N/A ASP 52.A N THR 125.A OG1 no hydrogen 2.851 N/A GLY 53.A N GLU 18.A O no hydrogen 2.738 N/A HIS 54.A N GLY 123.A O no hydrogen 2.957 N/A HIS 54.A NE2 ASP 199.A OD1 no hydrogen 3.172 N/A HIS 54.A NE2 ASP 199.A OD2 no hydrogen 2.759 N/A ASP 61.A N HIS 57.A O no hydrogen 2.950 N/A TYR 62.A N LYS 58.A O no hydrogen 2.933 N/A TYR 62.A OH GLU 102.A OE1 no hydrogen 2.506 N/A CYS 63.A N VAL 59.A O no hydrogen 2.815 N/A CYS 63.A SG VAL 59.A O no hydrogen 3.501 N/A ARG 64.A N ALA 60.A O no hydrogen 2.909 N/A ARG 64.A NE ASP 65.A OD1 no hydrogen 3.300 N/A ASP 65.A N ASP 61.A O no hydrogen 3.032 N/A ASP 65.A N TYR 62.A O no hydrogen 3.020 N/A ARG 66.A N TYR 62.A O no hydrogen 2.841 N/A ARG 66.A NE GLU 102.A OE1 no hydrogen 3.079 N/A ARG 66.A NE GLU 102.A OE2 no hydrogen 3.292 N/A ARG 66.A NH1 GLU 73.A OE2 no hydrogen 3.001 N/A ARG 66.A NH2 GLU 73.A OE1 no hydrogen 2.873 N/A ARG 66.A NH2 GLU 73.A OE2 no hydrogen 3.522 N/A ARG 66.A NH2 GLU 102.A OE2 no hydrogen 3.027 N/A LEU 67.A N CYS 63.A O no hydrogen 2.975 N/A ALA 70.A N ARG 66.A O no hydrogen 2.962 N/A LEU 71.A N LEU 67.A O no hydrogen 2.907 N/A ALA 72.A N HIS 68.A O no hydrogen 2.932 N/A GLU 73.A N PHE 69.A O no hydrogen 3.046 N/A GLU 74.A N ALA 70.A O no hydrogen 3.027 N/A ILE 75.A N LEU 71.A O no hydrogen 2.889 N/A GLU 76.A N ALA 72.A O no hydrogen 2.763 N/A ARG 77.A N GLU 73.A O no hydrogen 2.926 N/A ARG 77.A NH1 GLU 74.A OE2 no hydrogen 3.321 N/A ILE 78.A N GLU 74.A O no hydrogen 3.104 N/A LYS 79.A N ILE 75.A O no hydrogen 2.956 N/A LYS 79.A NZ LYS 29.A O no hydrogen 2.915 N/A LYS 79.A NZ GLU 76.A OE1 no hydrogen 3.523 N/A ASP 80.A N GLU 76.A O no hydrogen 3.091 N/A GLU 81.A N ARG 77.A O no hydrogen 3.178 N/A LEU 82.A N ILE 78.A O no hydrogen 3.050 N/A GLN 85.A NE2 GLN 85.A O no hydrogen 2.954 N/A VAL 86.A N GLY 83.A O no hydrogen 3.292 N/A GLN 87.A N GLY 83.A O no hydrogen 3.077 N/A TRP 88.A N ARG 84.A O no hydrogen 3.015 N/A TRP 88.A NE1 MET 34.A O no hydrogen 3.059 N/A ASP 89.A N GLN 85.A O no hydrogen 3.179 N/A LYS 90.A N VAL 86.A O no hydrogen 3.075 N/A VAL 91.A N GLN 87.A O no hydrogen 2.893 N/A PHE 92.A N TRP 88.A O no hydrogen 2.949 N/A THR 93.A N ASP 89.A O no hydrogen 2.808 N/A THR 93.A OG1 ASP 89.A O no hydrogen 2.497 N/A SER 94.A N LYS 90.A O no hydrogen 2.960 N/A SER 94.A OG GLU 74.A OE1 no hydrogen 2.365 N/A CYS 95.A N VAL 91.A O no hydrogen 2.988 N/A CYS 95.A SG LEU 67.A O no hydrogen 3.817 N/A PHE 96.A N PHE 92.A O no hydrogen 2.844 N/A LEU 97.A N THR 93.A O no hydrogen 2.874 N/A THR 98.A N SER 94.A O no hydrogen 2.994 N/A THR 98.A OG1 SER 94.A O no hydrogen 2.757 N/A VAL 99.A N CYS 95.A O no hydrogen 3.179 N/A ASP 100.A N PHE 96.A O no hydrogen 2.966 N/A GLY 101.A N LEU 97.A O no hydrogen 2.994 N/A GLU 102.A N THR 98.A O no hydrogen 2.904 N/A ILE 103.A N VAL 99.A O no hydrogen 2.904 N/A GLU 104.A N ASP 100.A O no hydrogen 3.001 N/A GLY 105.A N GLU 102.A O no hydrogen 3.143 N/A LYS 106.A N GLY 101.A O no hydrogen 2.919 N/A LYS 106.A NZ GLU 104.A OE1 no hydrogen 2.628 N/A ILE 107.A N GLY 101.A O no hydrogen 2.939 N/A ARG 109.A N VAL 113.A O no hydrogen 2.688 N/A ARG 109.A NE GLU 115.A O no hydrogen 3.400 N/A ARG 109.A NH2 GLU 115.A O no hydrogen 3.464 N/A VAL 113.A N ARG 109.A O no hydrogen 2.653 N/A VAL 117.A N ILE 103.A O no hydrogen 2.910 N/A SER 119.A OG THR 121.A OG1 no hydrogen 3.349 N/A THR 121.A OG1 SER 119.A OG no hydrogen 3.349 N/A VAL 122.A N SER 119.A O no hydrogen 3.271 N/A GLY 123.A N HIS 54.A O no hydrogen 3.095 N/A SER 124.A N ILE 197.A O no hydrogen 2.862 N/A SER 124.A OG THR 125.A O no hydrogen 2.795 N/A THR 125.A N ASP 52.A O no hydrogen 2.857 N/A THR 125.A OG1 SER 144.A OG no hydrogen 2.652 N/A ALA 126.A N CYS 141.A O no hydrogen 3.030 N/A VAL 127.A N VAL 50.A O no hydrogen 2.954 N/A VAL 128.A N SER 139.A O no hydrogen 3.054 N/A ALA 129.A N PHE 48.A O no hydrogen 2.819 N/A LEU 130.A N VAL 137.A O no hydrogen 2.811 N/A VAL 131.A N HIS 46.A O no hydrogen 3.002 N/A CYS 132.A N HIS 135.A O no hydrogen 3.009 N/A CYS 132.A SG SER 134.A OG no hydrogen 3.540 N/A CYS 132.A SG HIS 135.A O no hydrogen 3.351 N/A SER 134.A OG HIS 135.A ND1 no hydrogen 2.823 N/A HIS 135.A ND1 SER 134.A OG no hydrogen 2.823 N/A ILE 136.A N MET 215.A O no hydrogen 2.742 N/A VAL 137.A N LEU 130.A O no hydrogen 2.937 N/A VAL 138.A N THR 213.A O no hydrogen 2.819 N/A SER 139.A N VAL 128.A O no hydrogen 2.915 N/A ASN 140.A N GLU 211.A O no hydrogen 2.784 N/A ASN 140.A ND2 GLY 142.A O no hydrogen 3.326 N/A CYS 141.A N ALA 126.A O no hydrogen 2.934 N/A CYS 141.A SG PRO 208.A O no hydrogen 4.031 N/A GLY 142.A N HIS 161.A ND1 no hydrogen 2.991 N/A SER 144.A OG THR 125.A OG1 no hydrogen 2.652 N/A ARG 145.A N ALA 227.A O no hydrogen 3.059 N/A ARG 145.A NE ASP 160.A OD1 no hydrogen 3.041 N/A ARG 145.A NH1 ASN 237.A OD1 no hydrogen 2.937 N/A ARG 145.A NH2 ASP 160.A OD1 no hydrogen 3.549 N/A ARG 145.A NH2 ASP 160.A OD2 no hydrogen 2.759 N/A ALA 146.A N SER 158.A OG no hydrogen 3.081 N/A VAL 147.A N ILE 225.A O no hydrogen 2.822 N/A LEU 148.A N MET 155.A O no hydrogen 2.821 N/A PHE 149.A N CYS 223.A O no hydrogen 2.900 N/A ARG 150.A N GLU 153.A O no hydrogen 3.038 N/A ARG 150.A NE ASP 221.A OD1 no hydrogen 2.675 N/A ARG 150.A NH2 PRO 216.A O no hydrogen 2.857 N/A ARG 150.A NH2 ASP 221.A OD1 no hydrogen 2.971 N/A ARG 150.A NH2 ASP 221.A OD2 no hydrogen 3.373 N/A GLY 151.A N GLU 220.A O no hydrogen 2.758 N/A GLU 153.A N ARG 150.A O no hydrogen 3.043 N/A ALA 154.A N GLN 238.A OE1 no hydrogen 3.174 N/A MET 155.A N LEU 148.A O no hydrogen 2.662 N/A LEU 157.A N ALA 146.A O no hydrogen 2.802 N/A HIS 161.A N GLY 142.A O no hydrogen 2.943 N/A LYS 162.A N ASP 160.A O no hydrogen 3.134 N/A LYS 162.A NZ ASP 143.A OD2 no hydrogen 3.189 N/A LYS 162.A NZ ALA 192.A O no hydrogen 2.777 N/A ARG 165.A N LYS 162.A O no hydrogen 3.014 N/A ARG 165.A NE ASP 167.A OD1 no hydrogen 2.681 N/A ARG 165.A NE ASP 167.A OD2 no hydrogen 3.246 N/A ARG 165.A NH1 VAL 159.A O no hydrogen 3.483 N/A ARG 165.A NH1 ASP 160.A O no hydrogen 3.091 N/A ARG 165.A NH2 ASP 167.A OD2 no hydrogen 3.059 N/A GLU 168.A N ASP 167.A OD1 no hydrogen 2.676 N/A TYR 169.A N ARG 165.A O no hydrogen 2.699 N/A ALA 170.A N GLU 166.A O no hydrogen 3.103 N/A ARG 171.A N ASP 167.A O no hydrogen 2.819 N/A ARG 171.A NE GLU 168.A OE1 no hydrogen 3.354 N/A ARG 171.A NE GLU 168.A OE2 no hydrogen 2.951 N/A ARG 171.A NH1 TYR 205.A O no hydrogen 3.047 N/A ARG 171.A NH2 GLU 168.A OE1 no hydrogen 2.749 N/A ARG 171.A NH2 TYR 205.A O no hydrogen 3.293 N/A ILE 172.A N GLU 168.A O no hydrogen 2.845 N/A GLU 173.A N TYR 169.A O no hydrogen 3.144 N/A ASN 174.A N ALA 170.A O no hydrogen 2.990 N/A ASN 174.A ND2 ALA 170.A O no hydrogen 3.265 N/A ALA 175.A N ARG 171.A O no hydrogen 3.080 N/A ALA 175.A N ILE 172.A O no hydrogen 3.253 N/A GLY 176.A N GLU 173.A O no hydrogen 2.951 N/A GLY 177.A N ILE 172.A O no hydrogen 2.783 N/A ILE 180.A N ARG 186.A O no hydrogen 2.971 N/A TRP 182.A N GLY 184.A O no hydrogen 2.848 N/A ARG 186.A N ILE 180.A O no hydrogen 2.956 N/A ARG 186.A NE TRP 182.A O no hydrogen 2.764 N/A ARG 186.A NE GLN 183.A O no hydrogen 2.916 N/A ARG 186.A NH1 VAL 190.A O no hydrogen 2.899 N/A ARG 186.A NH2 GLN 183.A O no hydrogen 2.985 N/A VAL 187.A N LEU 191.A O no hydrogen 2.856 N/A PHE 188.A N LYS 178.A O no hydrogen 2.693 N/A GLY 189.A N ARG 186.A O no hydrogen 3.123 N/A VAL 190.A N VAL 187.A O no hydrogen 2.861 N/A LEU 191.A N VAL 187.A O no hydrogen 3.414 N/A SER 194.A N HIS 161.A O no hydrogen 2.867 N/A SER 194.A OG GLU 168.A OE1 no hydrogen 2.867 N/A ARG 195.A NE GLU 168.A OE1 no hydrogen 3.109 N/A ARG 195.A NE GLU 168.A OE2 no hydrogen 3.466 N/A ARG 195.A NH1 GLU 209.A O no hydrogen 2.790 N/A ARG 195.A NH2 GLU 168.A OE2 no hydrogen 2.875 N/A SER 196.A N ILE 207.A O no hydrogen 3.064 N/A SER 196.A OG ASP 199.A OD2 no hydrogen 2.522 N/A ILE 197.A N SER 124.A O no hydrogen 2.861 N/A GLY 198.A N ASP 100.A OD1 no hydrogen 2.714 N/A ASP 199.A N VAL 122.A O no hydrogen 2.895 N/A TYR 201.A N GLU 120.A O no hydrogen 3.098 N/A LEU 202.A N ASP 199.A O no hydrogen 2.798 N/A LYS 203.A N ARG 200.A O no hydrogen 3.174 N/A TYR 205.A N LEU 202.A O no hydrogen 2.783 N/A VAL 206.A N LEU 202.A O no hydrogen 2.932 N/A GLU 211.A N ASN 140.A O no hydrogen 2.833 N/A THR 213.A N VAL 138.A O no hydrogen 2.706 N/A THR 213.A OG1 LEU 157.A O no hydrogen 3.014 N/A PHE 214.A N GLN 85.A OE1 no hydrogen 3.024 N/A MET 215.A N ILE 136.A O no hydrogen 2.700 N/A ARG 217.A N SER 134.A O no hydrogen 2.888 N/A ARG 217.A NH1 CYS 132.A O no hydrogen 2.886 N/A ARG 217.A NH2 LEU 298.A O no hydrogen 3.008 N/A SER 218.A N ASP 221.A OD2 no hydrogen 2.910 N/A GLU 220.A N SER 218.A OG no hydrogen 2.852 N/A ASP 221.A N SER 218.A O no hydrogen 2.848 N/A GLU 222.A N PHE 149.A O no hydrogen 2.750 N/A CYS 223.A N PHE 149.A O no hydrogen 3.463 N/A LEU 224.A N ILE 296.A O no hydrogen 2.812 N/A ILE 225.A N VAL 147.A O no hydrogen 2.894 N/A LEU 226.A N ILE 294.A O no hydrogen 3.049 N/A ALA 227.A N ARG 145.A O no hydrogen 3.085 N/A SER 228.A N SER 292.A O no hydrogen 3.061 N/A SER 228.A OG ASP 19.A OD2 no hydrogen 2.721 N/A LEU 231.A N SER 228.A O no hydrogen 2.982 N/A TRP 232.A NE1 ALA 227.A O no hydrogen 2.891 N/A ASP 233.A N ASP 229.A O no hydrogen 2.845 N/A VAL 234.A N LEU 231.A O no hydrogen 3.085 N/A MET 235.A N LEU 231.A O no hydrogen 3.196 N/A GLN 238.A NE2 LYS 152.A O no hydrogen 2.964 N/A GLN 238.A NE2 GLU 242.A OE2 no hydrogen 2.905 N/A GLU 239.A N ASN 236.A OD1 no hydrogen 2.932 N/A VAL 240.A N ASN 236.A O no hydrogen 2.932 N/A CYS 241.A N ASN 237.A O no hydrogen 3.224 N/A CYS 241.A SG ASN 237.A O no hydrogen 3.636 N/A GLU 242.A N GLN 238.A O no hydrogen 2.982 N/A ILE 243.A N GLU 239.A O no hydrogen 2.821 N/A ALA 244.A N VAL 240.A O no hydrogen 2.990 N/A ARG 245.A N CYS 241.A O no hydrogen 2.950 N/A ARG 245.A NE GLU 222.A OE1 no hydrogen 3.089 N/A ARG 246.A N GLU 242.A O no hydrogen 2.815 N/A ARG 247.A N ILE 243.A O no hydrogen 2.894 N/A ILE 248.A N ALA 244.A O no hydrogen 2.972 N/A LEU 249.A N ARG 245.A O no hydrogen 2.944 N/A MET 250.A N ARG 246.A O no hydrogen 2.936 N/A TRP 251.A N ARG 247.A O no hydrogen 2.950 N/A HIS 252.A N ILE 248.A O no hydrogen 3.020 N/A LYS 253.A N LEU 249.A O no hydrogen 2.830 N/A LYS 254.A N MET 250.A O no hydrogen 3.094 N/A LYS 254.A NZ MET 250.A O no hydrogen 3.397 N/A ASN 255.A N TRP 251.A O no hydrogen 2.888 N/A ASN 255.A ND2 TRP 251.A O no hydrogen 2.943 N/A GLY 256.A N HIS 252.A O no hydrogen 2.819 N/A GLU 262.A N PRO 259.A O no hydrogen 2.767 N/A ARG 263.A N LEU 260.A O no hydrogen 3.272 N/A ARG 263.A NH2 ASP 268.A OD1 no hydrogen 2.804 N/A LYS 265.A NZ ALA 261.A O no hydrogen 2.725 N/A ASP 268.A N TRP 5.A O no hydrogen 2.748 N/A CYS 271.A N ASP 268.A OD2 no hydrogen 2.947 N/A CYS 271.A SG ASP 268.A OD2 no hydrogen 3.354 N/A CYS 271.A SG VAL 295.A O no hydrogen 3.769 N/A GLN 272.A N ASP 268.A O no hydrogen 2.850 N/A GLN 272.A NE2 VAL 7.A O no hydrogen 2.912 N/A ALA 273.A N PRO 269.A O no hydrogen 2.916 N/A ALA 274.A N ALA 270.A O no hydrogen 3.114 N/A ALA 275.A N CYS 271.A O no hydrogen 2.922 N/A ASP 276.A N GLN 272.A O no hydrogen 2.810 N/A TYR 277.A N ALA 273.A O no hydrogen 2.974 N/A LEU 278.A N ALA 274.A O no hydrogen 2.964 N/A SER 279.A N ALA 275.A O no hydrogen 3.015 N/A SER 279.A OG ASP 276.A O no hydrogen 2.838 N/A MET 280.A N ASP 276.A O no hydrogen 3.056 N/A LEU 281.A N TYR 277.A O no hydrogen 2.944 N/A ALA 282.A N LEU 278.A O no hydrogen 2.902 N/A LEU 283.A N SER 279.A O no hydrogen 3.073 N/A GLN 284.A N MET 280.A O no hydrogen 2.817 N/A LYS 285.A N LEU 281.A O no hydrogen 2.710 N/A GLY 286.A N LEU 283.A O no hydrogen 2.699 N/A SER 287.A N ALA 282.A O no hydrogen 2.923 N/A SER 287.A OG GLY 230.A O no hydrogen 2.783 N/A LYS 288.A NZ GLY 286.A O no hydrogen 2.885 N/A ASN 290.A N ASP 289.A OD1 no hydrogen 2.659 N/A ASN 290.A ND2 GLN 11.A O no hydrogen 2.821 N/A ASN 290.A ND2 GLU 16.A O no hydrogen 3.132 N/A ILE 291.A N ILE 10.A O no hydrogen 2.823 N/A SER 292.A N SER 228.A OG no hydrogen 3.047 N/A SER 292.A OG SER 9.A OG no hydrogen 2.693 N/A SER 292.A OG ASP 19.A OD2 no hydrogen 2.752 N/A ILE 293.A N VAL 8.A O no hydrogen 2.793 N/A ILE 294.A N LEU 226.A O no hydrogen 2.783 N/A VAL 295.A N GLY 6.A O no hydrogen 2.914 N/A ILE 296.A N LEU 224.A O no hydrogen 2.877 N/A ASP 297.A N LEU 4.A O no hydrogen 3.002 N/A LEU 298.A N GLU 222.A O no hydrogen 3.117 N/A LYS 299.A N ASP 297.A OD1 no hydrogen 2.964 N/A LYS 299.A NZ ARG 219.A O no hydrogen 2.793 N/A ARG 302.A NE ASP 297.A OD1 no hydrogen 3.054 N/A ARG 302.A NE ASP 297.A OD2 no hydrogen 2.969 N/A ARG 302.A NH1 GLU 222.A OE2 no hydrogen 2.977 N/A ARG 302.A NH2 GLU 222.A OE2 no hydrogen 3.090 N/A ARG 302.A NH2 ASP 297.A OD1 no hydrogen 2.842 N/A