Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ly8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 7.A N SER 64.A O no hydrogen 2.785 N/A ARG 9.A N ASN 7.A OD1 no hydrogen 2.881 N/A ARG 9.A NE THR 48.A OG1 no hydrogen 3.018 N/A ARG 9.A NH1 THR 48.A OG1 no hydrogen 2.937 N/A ASP 10.A N ASN 7.A O no hydrogen 3.001 N/A ILE 11.A N MET 50.A O no hydrogen 2.870 N/A ASP 12.A N LYS 67.A O no hydrogen 3.008 N/A ILE 13.A N HIS 52.A O no hydrogen 2.888 N/A ASN 14.A N LEU 69.A O no hydrogen 2.850 N/A VAL 16.A N ILE 71.A O no hydrogen 2.801 N/A ASN 17.A ND2 PHE 73.A O no hydrogen 2.768 N/A LYS 18.A NZ ILE 55.A O no hydrogen 2.788 N/A ASN 21.A N SER 19.A O no hydrogen 3.127 N/A SER 25.A OG SER 25.A O no hydrogen 2.609 N/A GLN 28.A NE2 CYS 84.A O no hydrogen 3.655 N/A SER 30.A OG GLN 154.A OE1 no hydrogen 3.414 N/A TYR 31.A N TYR 27.A O no hydrogen 3.191 N/A TYR 31.A OH GLN 111.A O no hydrogen 2.611 N/A ALA 32.A N GLN 28.A O no hydrogen 2.959 N/A ILE 33.A N LEU 29.A O no hydrogen 3.007 N/A GLY 34.A N SER 30.A O no hydrogen 2.933 N/A VAL 35.A N TYR 31.A O no hydrogen 2.934 N/A GLY 36.A N ALA 32.A O no hydrogen 2.951 N/A ASP 37.A N ILE 33.A O no hydrogen 3.046 N/A LEU 38.A N GLY 34.A O no hydrogen 2.877 N/A VAL 39.A N VAL 35.A O no hydrogen 2.897 N/A ALA 40.A N GLY 36.A O no hydrogen 3.018 N/A THR 41.A N ASP 37.A O no hydrogen 2.889 N/A THR 41.A OG1 ASP 37.A O no hydrogen 2.822 N/A THR 41.A OG1 ASP 37.A OD1 no hydrogen 3.217 N/A SER 42.A N LEU 38.A O no hydrogen 2.804 N/A SER 42.A OG LEU 38.A O no hydrogen 2.755 N/A LEU 43.A N VAL 39.A O no hydrogen 2.964 N/A ASN 44.A N ALA 40.A O no hydrogen 2.830 N/A ASN 44.A ND2 VAL 51.A O no hydrogen 3.000 N/A THR 45.A N THR 41.A O no hydrogen 2.988 N/A THR 45.A OG1 THR 41.A O no hydrogen 2.807 N/A PHE 46.A N SER 42.A O no hydrogen 2.970 N/A SER 47.A OG LEU 43.A O no hydrogen 2.637 N/A PHE 49.A N SER 47.A OG no hydrogen 2.964 N/A MET 50.A N ARG 9.A O no hydrogen 2.822 N/A VAL 51.A N ASN 44.A OD1 no hydrogen 2.718 N/A HIS 52.A N ILE 11.A O no hydrogen 2.864 N/A HIS 52.A ND1 ASN 290.A O no hydrogen 2.828 N/A HIS 52.A NE2 ASP 10.A OD2 no hydrogen 2.895 N/A ASP 53.A N LEU 291.A O no hydrogen 2.940 N/A LYS 54.A N ILE 13.A O no hydrogen 2.762 N/A LYS 54.A NZ ASP 12.A OD2 no hydrogen 3.143 N/A ILE 55.A N ASP 53.A OD1 no hydrogen 2.983 N/A TYR 57.A N LYS 54.A O no hydrogen 2.958 N/A TYR 57.A OH GLU 61.A OE1 no hydrogen 3.311 N/A TYR 57.A OH GLU 61.A OE2 no hydrogen 3.074 N/A SER 63.A OG ASP 12.A OD2 no hydrogen 3.404 N/A SER 65.A N SER 63.A OG no hydrogen 3.203 N/A SER 65.A OG ASP 10.A OD1 no hydrogen 2.261 N/A SER 65.A OG ASP 12.A OD1 no hydrogen 2.782 N/A GLY 66.A N ASP 10.A O no hydrogen 2.854 N/A LYS 67.A N ASP 10.A O no hydrogen 3.374 N/A LYS 67.A NZ PRO 8.A O no hydrogen 2.706 N/A THR 68.A N VAL 91.A O no hydrogen 2.993 N/A LEU 69.A N ASP 12.A O no hydrogen 2.805 N/A SER 70.A N LYS 89.A O no hydrogen 2.883 N/A ILE 71.A N ASN 14.A O no hydrogen 2.892 N/A ALA 72.A N SER 87.A O no hydrogen 2.775 N/A PHE 73.A N VAL 16.A O no hydrogen 3.304 N/A VAL 74.A N PHE 85.A O no hydrogen 2.983 N/A ASN 75.A ND2 ASN 21.A OD1 no hydrogen 3.121 N/A ARG 77.A N ASN 75.A OD1 no hydrogen 2.740 N/A GLN 78.A N GLN 82.A OE1 no hydrogen 2.856 N/A GLN 82.A N TYR 79.A O no hydrogen 3.288 N/A GLN 82.A NE2 GLN 78.A OE1 no hydrogen 3.003 N/A CYS 84.A SG CYS 20.A O no hydrogen 3.474 N/A CYS 84.A SG ASN 21.A OD1 no hydrogen 3.372 N/A PHE 85.A N VAL 74.A O no hydrogen 2.860 N/A MET 86.A N TYR 104.A O no hydrogen 2.883 N/A SER 87.A N ALA 72.A O no hydrogen 2.735 N/A ILE 88.A N LYS 102.A O no hydrogen 3.015 N/A LYS 89.A N SER 70.A O no hydrogen 3.044 N/A LEU 90.A N LEU 100.A O no hydrogen 2.962 N/A VAL 91.A N THR 68.A O no hydrogen 2.942 N/A ASP 92.A N SER 97.A O no hydrogen 2.813 N/A ASN 93.A N GLY 66.A O no hydrogen 2.713 N/A ASN 93.A ND2 SER 65.A O no hydrogen 3.060 N/A ASN 93.A ND2 THR 68.A OG1 no hydrogen 2.901 N/A ALA 94.A N ASP 92.A OD1 no hydrogen 2.815 N/A GLY 96.A N ASP 92.A O no hydrogen 2.732 N/A SER 97.A N ASP 95.A OD2 no hydrogen 3.099 N/A SER 97.A OG ASP 95.A OD1 no hydrogen 3.554 N/A SER 97.A OG ASP 95.A OD2 no hydrogen 2.591 N/A MET 99.A N LEU 90.A O no hydrogen 2.772 N/A LYS 102.A N ILE 88.A O no hydrogen 2.816 N/A LYS 102.A NZ ASP 117.A OD2 no hydrogen 2.767 N/A LYS 102.A NZ SER 121.A OG no hydrogen 2.825 N/A TYR 104.A N MET 86.A O no hydrogen 2.787 N/A TYR 104.A OH ASP 117.A OD2 no hydrogen 2.703 N/A THR 107.A N ASN 110.A OD1 no hydrogen 2.862 N/A GLY 109.A N GLN 111.A OE1 no hydrogen 2.548 N/A ASN 110.A ND2 VAL 105.A O no hydrogen 3.019 N/A GLN 111.A N GLN 111.A OE1 no hydrogen 2.882 N/A ILE 114.A N ASN 110.A O no hydrogen 2.950 N/A GLN 115.A N GLN 111.A O no hydrogen 3.042 N/A ASN 116.A N LEU 112.A O no hydrogen 2.827 N/A ASN 116.A ND2 GLU 120.A OE2 no hydrogen 3.036 N/A ASP 117.A N ALA 113.A O no hydrogen 2.919 N/A LEU 118.A N ILE 114.A O no hydrogen 2.925 N/A LEU 119.A N GLN 115.A O no hydrogen 2.907 N/A GLU 120.A N ASN 116.A O no hydrogen 2.898 N/A SER 121.A N ASP 117.A O no hydrogen 2.912 N/A SER 121.A OG ASP 117.A O no hydrogen 3.010 N/A LEU 122.A N LEU 118.A O no hydrogen 2.769 N/A SER 123.A N LEU 119.A O no hydrogen 2.980 N/A SER 123.A OG GLN 128.A O no hydrogen 2.594 N/A LYS 124.A N GLU 120.A O no hydrogen 3.270 N/A ALA 125.A N SER 121.A O no hydrogen 2.864 N/A LEU 126.A N LEU 122.A O no hydrogen 2.782 N/A ASN 127.A N LYS 124.A O no hydrogen 3.236 N/A GLN 128.A N SER 123.A O no hydrogen 2.851 N/A GLN 128.A NE2 PRO 129.A O no hydrogen 3.050 N/A TRP 130.A NE1 LEU 119.A O no hydrogen 2.902 N/A ARG 133.A NH1 LEU 258.A O no hydrogen 2.931 N/A GLN 135.A N PRO 131.A O no hydrogen 3.175 N/A GLN 135.A NE2 TRP 130.A O no hydrogen 2.800 N/A GLU 136.A N GLN 132.A O no hydrogen 2.940 N/A THR 137.A N ARG 133.A O no hydrogen 2.872 N/A THR 137.A OG1 ARG 133.A O no hydrogen 2.781 N/A LEU 138.A N MET 134.A O no hydrogen 2.951 N/A GLN 139.A N GLN 135.A O no hydrogen 3.287 N/A LYS 140.A N THR 137.A O no hydrogen 2.936 N/A LYS 140.A NZ GLU 136.A OE1 no hydrogen 2.927 N/A LYS 140.A NZ GLU 224.A O no hydrogen 2.858 N/A ILE 141.A N THR 137.A O no hydrogen 3.042 N/A ARG 145.A NE GLU 183.A OE2 no hydrogen 2.855 N/A ARG 145.A NH2 GLU 183.A OE1 no hydrogen 2.907 N/A ARG 145.A NH2 GLU 183.A OE2 no hydrogen 3.476 N/A LEU 148.A N ARG 145.A O no hydrogen 3.033 N/A LEU 149.A N GLY 146.A O no hydrogen 3.293 N/A THR 150.A OG1 ASN 108.A OD1 no hydrogen 3.087 N/A PHE 152.A N LEU 148.A O no hydrogen 2.913 N/A TYR 153.A N LEU 149.A O no hydrogen 2.923 N/A GLN 154.A N THR 150.A O no hydrogen 2.973 N/A ALA 155.A N ASN 151.A O no hydrogen 2.983 N/A HIS 156.A N PHE 152.A O no hydrogen 2.936 N/A HIS 156.A NE2 ASP 37.A OD2 no hydrogen 2.607 N/A ASP 157.A N TYR 153.A O no hydrogen 2.944 N/A TYR 158.A N GLN 154.A O no hydrogen 3.036 N/A LEU 159.A N ALA 155.A O no hydrogen 2.956 N/A LEU 160.A N HIS 156.A O no hydrogen 2.983 N/A HIS 161.A N ASP 157.A O no hydrogen 3.057 N/A HIS 161.A ND1 ASP 157.A O no hydrogen 2.908 N/A GLY 162.A N TYR 158.A O no hydrogen 3.132 N/A SER 166.A N ASP 163.A OD1 no hydrogen 3.115 N/A SER 166.A OG ASP 163.A OD1 no hydrogen 3.163 N/A SER 166.A OG ASP 163.A OD2 no hydrogen 2.539 N/A LEU 167.A N ASP 163.A O no hydrogen 2.872 N/A ASN 168.A N ASP 164.A O no hydrogen 2.882 N/A ARG 169.A N LYS 165.A O no hydrogen 3.172 N/A ARG 169.A NH1 GLU 172.A OE1 no hydrogen 2.862 N/A ALA 170.A N SER 166.A O no hydrogen 2.858 N/A SER 171.A N LEU 167.A O no hydrogen 2.901 N/A SER 171.A OG ASP 195.A OD1 no hydrogen 2.708 N/A GLU 172.A N ASN 168.A O no hydrogen 3.142 N/A LEU 173.A N ARG 169.A O no hydrogen 2.911 N/A LEU 174.A N ALA 170.A O no hydrogen 2.889 N/A GLY 175.A N SER 171.A O no hydrogen 2.867 N/A GLU 176.A N GLU 172.A O no hydrogen 3.121 N/A ILE 177.A N LEU 173.A O no hydrogen 3.120 N/A VAL 178.A N LEU 174.A O no hydrogen 2.871 N/A GLN 179.A N GLY 175.A O no hydrogen 3.089 N/A SER 180.A N GLU 176.A O no hydrogen 2.857 N/A SER 180.A OG GLU 176.A O no hydrogen 3.088 N/A SER 181.A N ILE 177.A O no hydrogen 2.729 N/A SER 181.A OG GLU 183.A OE2 no hydrogen 2.829 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.643 N/A PHE 184.A N SER 181.A O no hydrogen 3.016 N/A THR 185.A N GLU 183.A O no hydrogen 2.870 N/A THR 185.A OG1 GLU 183.A O no hydrogen 3.351 N/A THR 185.A OG1 GLU 224.A OE1 no hydrogen 2.622 N/A ALA 187.A N PHE 184.A O no hydrogen 3.098 N/A ARG 188.A NE GLU 215.A OE2 no hydrogen 2.871 N/A ARG 188.A NH2 GLU 215.A OE1 no hydrogen 2.869 N/A ALA 189.A N THR 185.A O no hydrogen 3.113 N/A GLU 190.A N TYR 186.A O no hydrogen 2.794 N/A LYS 191.A N ALA 187.A O no hydrogen 2.884 N/A LYS 191.A NZ ASP 195.A OD2 no hydrogen 2.735 N/A ALA 192.A N ARG 188.A O no hydrogen 2.992 N/A LEU 193.A N ALA 189.A O no hydrogen 2.954 N/A VAL 194.A N GLU 190.A O no hydrogen 2.891 N/A ASP 195.A N LYS 191.A O no hydrogen 2.792 N/A ILE 196.A N ALA 192.A O no hydrogen 2.906 N/A VAL 197.A N LEU 193.A O no hydrogen 3.026 N/A ARG 198.A N VAL 194.A O no hydrogen 2.784 N/A ARG 198.A NE ASN 168.A OD1 no hydrogen 2.814 N/A ARG 198.A NH1 ASP 195.A OD1 no hydrogen 2.917 N/A HIS 199.A N ASP 195.A O no hydrogen 2.863 N/A SER 200.A N ILE 196.A O no hydrogen 3.138 N/A SER 200.A OG VAL 197.A O no hydrogen 2.575 N/A GLN 201.A N VAL 197.A O no hydrogen 3.065 N/A GLN 201.A NE2 GLY 162.A O no hydrogen 3.033 N/A HIS 202.A N ARG 198.A O no hydrogen 2.784 N/A HIS 202.A NE2 ASP 164.A OD2 no hydrogen 2.847 N/A LEU 204.A N HIS 199.A ND1 no hydrogen 2.884 N/A ASP 205.A N GLN 208.A OE1 no hydrogen 3.469 N/A GLN 208.A N ASP 205.A OD1 no hydrogen 2.907 N/A LEU 209.A N ASP 205.A O no hydrogen 2.880 N/A ALA 210.A N GLU 206.A O no hydrogen 2.959 N/A ALA 211.A N LYS 207.A O no hydrogen 3.003 N/A LEU 212.A N GLN 208.A O no hydrogen 2.904 N/A ASN 213.A N LEU 209.A O no hydrogen 2.809 N/A THR 214.A N ALA 210.A O no hydrogen 2.948 N/A THR 214.A OG1 ALA 210.A O no hydrogen 3.232 N/A GLU 215.A N ALA 211.A O no hydrogen 2.887 N/A ILE 216.A N LEU 212.A O no hydrogen 2.807 N/A ASP 217.A N ASN 213.A O no hydrogen 2.889 N/A ASN 218.A N THR 214.A O no hydrogen 2.931 N/A ILE 219.A N GLU 215.A O no hydrogen 2.917 N/A VAL 220.A N ILE 216.A O no hydrogen 2.955 N/A THR 221.A OG1 ASP 217.A O no hydrogen 3.559 N/A THR 221.A OG1 ASN 218.A O no hydrogen 3.177 N/A LEU 222.A N ILE 219.A O no hydrogen 3.074 N/A GLU 224.A N GLU 224.A OE2 no hydrogen 3.127 N/A LEU 225.A N LEU 222.A O no hydrogen 2.971 N/A ASN 226.A N PRO 223.A O no hydrogen 3.131 N/A LEU 228.A N LEU 225.A O no hydrogen 3.231 N/A SER 229.A OG GLY 255.A O no hydrogen 3.097 N/A ILE 231.A N LEU 228.A O no hydrogen 3.397 N/A GLN 233.A N SER 229.A O no hydrogen 2.907 N/A GLN 233.A NE2 ASN 264.A OD1 no hydrogen 2.718 N/A ILE 234.A N ILE 230.A O no hydrogen 2.977 N/A LYS 235.A N ILE 231.A O no hydrogen 2.911 N/A ALA 236.A N TYR 232.A O no hydrogen 2.791 N/A VAL 237.A N GLN 233.A O no hydrogen 2.868 N/A SER 238.A N ILE 234.A O no hydrogen 2.871 N/A ALA 239.A N LYS 235.A O no hydrogen 2.902 N/A LEU 240.A N ALA 236.A O no hydrogen 2.928 N/A VAL 241.A N VAL 237.A O no hydrogen 2.915 N/A LYS 242.A N SER 238.A O no hydrogen 2.936 N/A GLY 243.A N LEU 240.A O no hydrogen 2.782 N/A LYS 244.A N ALA 239.A O no hydrogen 2.755 N/A SER 248.A N LYS 244.A O no hydrogen 2.991 N/A SER 248.A OG ALA 236.A O no hydrogen 2.887 N/A TYR 249.A N THR 245.A O no hydrogen 2.776 N/A GLN 250.A N ASP 246.A O no hydrogen 2.991 N/A ALA 251.A N GLU 247.A O no hydrogen 3.122 N/A ILE 252.A N SER 248.A O no hydrogen 2.960 N/A ASN 253.A N TYR 249.A O no hydrogen 3.097 N/A THR 254.A N GLN 250.A O no hydrogen 3.318 N/A THR 254.A OG1 GLN 250.A O no hydrogen 3.268 N/A GLY 255.A N ALA 251.A O no hydrogen 2.856 N/A ILE 256.A N ILE 252.A O no hydrogen 2.809 N/A ASP 257.A N ASN 253.A O no hydrogen 3.050 N/A LEU 258.A N THR 254.A O no hydrogen 3.197 N/A GLU 259.A N GLY 255.A O no hydrogen 2.794 N/A GLU 259.A N ILE 256.A O no hydrogen 3.236 N/A MET 260.A N THR 45.A OG1 no hydrogen 2.757 N/A SER 261.A OG GLU 259.A OE1 no hydrogen 2.831 N/A ASN 264.A N SER 261.A OG no hydrogen 3.138 N/A ASN 264.A ND2 SER 229.A OG no hydrogen 2.949 N/A ASN 264.A ND2 GLU 259.A O no hydrogen 2.967 N/A TYR 265.A N SER 261.A O no hydrogen 3.153 N/A VAL 266.A N TRP 262.A O no hydrogen 2.890 N/A LEU 267.A N LEU 263.A O no hydrogen 3.029 N/A LEU 268.A N ASN 264.A O no hydrogen 2.963 N/A GLY 269.A N TYR 265.A O no hydrogen 2.893 N/A LYS 270.A N VAL 266.A O no hydrogen 2.907 N/A LYS 270.A NZ ILE 301.A O no hydrogen 2.711 N/A LYS 270.A NZ GLY 304.A O no hydrogen 3.061 N/A LYS 270.A NZ PHE 306.A O no hydrogen 2.801 N/A LYS 270.A NZ THR 308.A OG1 no hydrogen 2.841 N/A VAL 271.A N LEU 267.A O no hydrogen 2.996 N/A TYR 272.A N LEU 268.A O no hydrogen 2.981 N/A GLU 273.A N GLY 269.A O no hydrogen 2.838 N/A MET 274.A N LYS 270.A O no hydrogen 2.851 N/A LYS 275.A N VAL 271.A O no hydrogen 2.902 N/A GLY 276.A N GLU 273.A O no hydrogen 2.867 N/A MET 277.A N TYR 272.A O no hydrogen 2.818 N/A GLU 280.A N GLU 280.A OE1 no hydrogen 2.737 N/A ALA 281.A N MET 277.A O no hydrogen 2.940 N/A ALA 282.A N ASN 278.A O no hydrogen 2.787 N/A GLU 283.A N ARG 279.A O no hydrogen 3.036 N/A ALA 284.A N GLU 280.A O no hydrogen 3.039 N/A TYR 285.A N ALA 281.A O no hydrogen 2.862 N/A TYR 285.A OH GLU 273.A OE2 no hydrogen 2.566 N/A LEU 286.A N ALA 282.A O no hydrogen 2.921 N/A THR 287.A N GLU 283.A O no hydrogen 2.926 N/A THR 287.A OG1 GLU 283.A O no hydrogen 2.939 N/A ALA 288.A N ALA 284.A O no hydrogen 2.906 N/A PHE 289.A N TYR 285.A O no hydrogen 2.930 N/A ASN 290.A N LEU 286.A O no hydrogen 2.852 N/A ASN 290.A ND2 LEU 286.A O no hydrogen 3.012 N/A LEU 291.A N THR 287.A O no hydrogen 2.937 N/A ARG 292.A N ALA 288.A O no hydrogen 2.960 N/A ARG 292.A NE ASP 53.A OD2 no hydrogen 3.024 N/A ASN 296.A N ASN 56.A OD1 no hydrogen 2.936 N/A THR 297.A OG1 ARG 292.A O no hydrogen 2.614 N/A LEU 298.A N GLY 294.A O no hydrogen 3.111 N/A TYR 299.A N ALA 295.A O no hydrogen 2.822 N/A TRP 300.A N ASN 296.A O no hydrogen 3.181 N/A TRP 300.A NE1 LEU 159.A O no hydrogen 3.006 N/A ILE 301.A N THR 297.A O no hydrogen 2.931 N/A GLU 302.A N LEU 298.A O no hydrogen 2.883 N/A ASN 303.A N TYR 299.A O no hydrogen 2.831 N/A ASN 303.A ND2 TYR 299.A O no hydrogen 3.049 N/A GLY 304.A N TRP 300.A O no hydrogen 2.680 N/A PHE 306.A N GLY 304.A O no hydrogen 2.733 N/A THR 308.A N GLU 302.A O no hydrogen 2.829 N/A THR 308.A OG1 GLU 273.A OE2 no hydrogen 2.543 N/A TYR 312.A N SER 309.A OG no hydrogen 3.015 N/A VAL 313.A N SER 309.A O no hydrogen 2.913 N/A VAL 314.A N VAL 310.A O no hydrogen 2.926 N/A ASP 318.A N VAL 314.A O no hydrogen 3.079 N/A LYS 319.A N PRO 315.A O no hydrogen 2.889 N/A PHE 320.A N TYR 316.A O no hydrogen 2.754 N/A LEU 321.A N LEU 317.A O no hydrogen 2.919 N/A ALA 322.A N ASP 318.A O no hydrogen 3.165 N/A ALA 322.A N LYS 319.A O no hydrogen 3.179 N/A SER 323.A N PHE 320.A O no hydrogen 3.305 N/A SER 323.A OG PHE 320.A O no hydrogen 3.216 N/A