Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3l6b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ASP 247.A OD2 no hydrogen 2.637 N/A SER 6.A N ASP 9.A OD2 no hydrogen 2.881 N/A SER 6.A OG ASP 9.A OD2 no hydrogen 3.347 N/A ASP 9.A N SER 6.A OG no hydrogen 3.427 N/A VAL 10.A N SER 6.A O no hydrogen 3.381 N/A GLU 11.A N PHE 7.A O no hydrogen 2.922 N/A LYS 12.A N ALA 8.A O no hydrogen 2.964 N/A ALA 13.A N ASP 9.A O no hydrogen 2.904 N/A HIS 14.A N VAL 10.A O no hydrogen 2.904 N/A HIS 14.A NE2 GLU 162.A OE2 no hydrogen 2.863 N/A ILE 15.A N GLU 11.A O no hydrogen 3.179 N/A ASN 16.A N LYS 12.A O no hydrogen 3.051 N/A ILE 17.A N ALA 13.A O no hydrogen 2.966 N/A ILE 17.A N HIS 14.A O no hydrogen 3.357 N/A ARG 18.A N HIS 14.A O no hydrogen 2.907 N/A SER 20.A N ILE 17.A O no hydrogen 2.805 N/A HIS 22.A N GLN 48.A OE1 no hydrogen 2.876 N/A HIS 22.A ND1 PHE 47.A O no hydrogen 3.184 N/A THR 24.A OG1 GLU 45.A OE2 no hydrogen 2.606 N/A LEU 27.A N PHE 42.A O no hydrogen 2.935 N/A LEU 32.A N SER 29.A OG no hydrogen 3.181 N/A ASN 33.A N SER 29.A O no hydrogen 3.039 N/A GLN 34.A N SER 30.A O no hydrogen 2.930 N/A LEU 35.A N ILE 31.A O no hydrogen 2.905 N/A THR 36.A N LEU 32.A O no hydrogen 3.125 N/A THR 36.A OG1 LEU 32.A O no hydrogen 2.806 N/A THR 36.A OG1 ASN 33.A O no hydrogen 3.396 N/A GLY 37.A N ASN 33.A O no hydrogen 2.802 N/A ARG 38.A N THR 36.A OG1 no hydrogen 3.257 N/A ARG 38.A NH1 VAL 294.A O no hydrogen 3.445 N/A ARG 38.A NH1 SER 295.A O no hydrogen 2.949 N/A ARG 38.A NH1 VAL 298.A O no hydrogen 2.884 N/A ARG 38.A NH2 VAL 294.A O no hydrogen 2.809 N/A ASN 39.A N LYS 299.A O no hydrogen 2.825 N/A LEU 40.A N ASN 33.A OD1 no hydrogen 2.826 N/A PHE 41.A N ILE 301.A O no hydrogen 2.854 N/A PHE 42.A N LEU 27.A O no hydrogen 2.783 N/A LYS 43.A N ILE 303.A O no hydrogen 2.959 N/A LYS 43.A NZ THR 24.A O no hydrogen 2.872 N/A LYS 43.A NZ THR 24.A OG1 no hydrogen 3.022 N/A LYS 43.A NZ GLU 162.A OE1 no hydrogen 2.767 N/A LYS 43.A NZ GLN 166.A OE1 no hydrogen 2.812 N/A CYS 44.A N PRO 25.A O no hydrogen 2.948 N/A CYS 44.A SG PHE 42.A O no hydrogen 3.555 N/A GLU 45.A N LYS 43.A O no hydrogen 2.986 N/A PHE 47.A N CYS 44.A O no hydrogen 3.116 N/A GLN 48.A N GLU 45.A O no hydrogen 2.929 N/A GLN 48.A NE2 HIS 22.A O no hydrogen 3.021 N/A GLN 48.A NE2 GLU 45.A OE1 no hydrogen 3.248 N/A GLN 48.A NE2 GLU 45.A OE2 no hydrogen 3.542 N/A LYS 49.A N GLN 48.A OE1 no hydrogen 3.162 N/A LYS 49.A NZ SER 20.A O no hydrogen 3.010 N/A THR 50.A OG1 LYS 49.A O no hydrogen 2.535 N/A GLY 51.A N GLN 48.A O no hydrogen 2.949 N/A PHE 53.A N SER 306.A O no hydrogen 3.149 N/A LYS 54.A N SER 52.A OG no hydrogen 3.042 N/A ARG 56.A N PHE 53.A O no hydrogen 2.927 N/A ARG 56.A NE GLU 45.A OE1 no hydrogen 2.875 N/A ARG 56.A NH1 THR 158.A OG1 no hydrogen 2.947 N/A ARG 56.A NH1 GLU 162.A OE2 no hydrogen 2.859 N/A ARG 56.A NH2 GLU 45.A OE1 no hydrogen 3.466 N/A ARG 56.A NH2 GLU 45.A OE2 no hydrogen 2.783 N/A ARG 56.A NH2 GLU 162.A OE1 no hydrogen 2.840 N/A ARG 56.A NH2 GLU 162.A OE2 no hydrogen 3.297 N/A GLY 57.A N GLN 156.A OE1 no hydrogen 2.851 N/A ALA 58.A N LYS 54.A O no hydrogen 3.049 N/A LEU 59.A N ILE 55.A O no hydrogen 2.886 N/A ASN 60.A N ARG 56.A O no hydrogen 3.014 N/A ASN 60.A ND2 ALA 151.A O no hydrogen 2.850 N/A ALA 61.A N GLY 57.A O no hydrogen 2.901 N/A VAL 62.A N ALA 58.A O no hydrogen 2.980 N/A ARG 63.A N LEU 59.A O no hydrogen 2.999 N/A ARG 63.A NH1 ASN 16.A O no hydrogen 2.884 N/A ARG 63.A NH1 SER 20.A OG no hydrogen 3.115 N/A ARG 63.A NH2 SER 20.A OG no hydrogen 2.629 N/A SER 64.A N ALA 61.A O no hydrogen 3.169 N/A SER 64.A OG ASN 60.A O no hydrogen 2.754 N/A LEU 65.A N VAL 62.A O no hydrogen 3.241 N/A LYS 68.A NZ GLU 91.A O no hydrogen 2.730 N/A VAL 72.A N PRO 94.A O no hydrogen 2.979 N/A VAL 73.A N ILE 142.A O no hydrogen 2.877 N/A THR 74.A N TYR 96.A O no hydrogen 3.208 N/A THR 74.A OG1 HIS 75.A O no hydrogen 3.269 N/A THR 74.A OG1 VAL 144.A O no hydrogen 2.638 N/A HIS 75.A NE2 GLU 129.A OE1 no hydrogen 2.922 N/A SER 76.A N VAL 98.A O no hydrogen 2.837 N/A GLY 78.A N SER 76.A OG no hydrogen 2.809 N/A ASN 79.A ND2 GLU 276.A OE2 no hydrogen 2.984 N/A HIS 80.A NE2 VAL 144.A O no hydrogen 2.991 N/A GLY 81.A N SER 76.A OG no hydrogen 2.880 N/A GLN 82.A N GLY 78.A O no hydrogen 2.931 N/A GLN 82.A NE2.A TYR 114.A OH no hydrogen 3.221 N/A GLN 82.A NE2.B GLY 78.A O no hydrogen 3.362 N/A ALA 83.A N ASN 79.A O no hydrogen 3.031 N/A LEU 84.A N HIS 80.A O no hydrogen 2.759 N/A THR 85.A N GLY 81.A O no hydrogen 2.991 N/A THR 85.A OG1 GLY 81.A O no hydrogen 2.749 N/A TYR 86.A N GLN 82.A O no hydrogen 2.981 N/A ALA 87.A N ALA 83.A O no hydrogen 2.922 N/A ALA 88.A N LEU 84.A O no hydrogen 2.889 N/A LYS 89.A N THR 85.A O no hydrogen 2.885 N/A LEU 90.A N TYR 86.A O no hydrogen 3.184 N/A GLU 91.A N ALA 88.A O no hydrogen 3.047 N/A GLY 92.A N LYS 89.A O no hydrogen 2.974 N/A ILE 93.A N ALA 88.A O no hydrogen 2.844 N/A TYR 96.A N VAL 72.A O no hydrogen 2.917 N/A ILE 97.A N SER 117.A O no hydrogen 2.872 N/A VAL 98.A N THR 74.A O no hydrogen 2.842 N/A VAL 99.A N VAL 119.A O no hydrogen 2.864 N/A GLN 101.A N CYS 121.A O no hydrogen 2.873 N/A ALA 103.A N PRO 100.A O no hydrogen 3.018 N/A CYS 106.A N ASP 311.A OD1 no hydrogen 3.123 N/A CYS 106.A N ASP 311.A OD2 no hydrogen 3.136 N/A LYS 107.A N PRO 104.A O no hydrogen 3.053 N/A LYS 107.A NZ ASP 231.A OD2 no hydrogen 2.702 N/A LYS 107.A NZ GLU 276.A OE1 no hydrogen 2.744 N/A LYS 108.A N PRO 104.A O no hydrogen 3.144 N/A LYS 108.A NZ GLN 101.A O no hydrogen 2.617 N/A LEU 109.A N ASP 105.A O no hydrogen 2.870 N/A ALA 110.A N CYS 106.A O no hydrogen 3.005 N/A ILE 111.A N LYS 107.A O no hydrogen 3.147 N/A GLN 112.A N LYS 108.A O no hydrogen 3.290 N/A GLN 112.A NE2 LYS 108.A O no hydrogen 3.047 N/A ALA 113.A N LEU 109.A O no hydrogen 2.813 N/A TYR 114.A N ALA 110.A O no hydrogen 3.071 N/A GLY 115.A N GLN 112.A O no hydrogen 2.932 N/A ALA 116.A N ILE 111.A O no hydrogen 3.343 N/A SER 117.A N ALA 95.A O no hydrogen 2.943 N/A VAL 119.A N ILE 97.A O no hydrogen 2.854 N/A CYS 121.A N VAL 99.A O no hydrogen 2.946 N/A CYS 121.A SG GLU 122.A O no hydrogen 3.433 N/A GLU 122.A N SER 127.A OG no hydrogen 2.911 N/A SER 124.A N GLU 122.A O no hydrogen 2.941 N/A SER 127.A N SER 124.A OG no hydrogen 2.939 N/A SER 127.A OG GLU 122.A O no hydrogen 3.374 N/A ARG 128.A N SER 124.A O no hydrogen 2.996 N/A ARG 128.A NE HIS 75.A ND1 no hydrogen 3.003 N/A ARG 128.A NH2 HIS 75.A ND1 no hydrogen 3.040 N/A ARG 128.A NH2 HIS 75.A O no hydrogen 3.479 N/A GLU 129.A N ASP 125.A O no hydrogen 2.931 N/A ASN 130.A N GLU 126.A O no hydrogen 2.902 N/A VAL 131.A N SER 127.A O no hydrogen 2.914 N/A ALA 132.A N ARG 128.A O no hydrogen 3.036 N/A LYS 133.A N GLU 129.A O no hydrogen 2.998 N/A ARG 134.A N ASN 130.A O no hydrogen 3.036 N/A ARG 134.A NH1 GLU 138.A OE2 no hydrogen 3.007 N/A VAL 135.A N VAL 131.A O no hydrogen 2.852 N/A THR 136.A N ALA 132.A O no hydrogen 2.880 N/A THR 136.A OG1 ALA 132.A O no hydrogen 2.770 N/A GLU 137.A N LYS 133.A O no hydrogen 3.095 N/A GLU 138.A N ARG 134.A O no hydrogen 2.933 N/A THR 139.A N VAL 135.A O no hydrogen 2.971 N/A THR 139.A OG1 VAL 135.A O no hydrogen 2.801 N/A THR 139.A OG1 THR 136.A O no hydrogen 3.380 N/A GLU 140.A N GLU 137.A O no hydrogen 3.330 N/A GLY 141.A N THR 136.A O no hydrogen 3.148 N/A GLY 141.A N THR 139.A OG1 no hydrogen 3.152 N/A ILE 142.A N ALA 71.A O no hydrogen 2.836 N/A VAL 144.A N VAL 73.A O no hydrogen 2.813 N/A HIS 145.A NE2 GLU 129.A OE2 no hydrogen 2.749 N/A ASN 147.A N HIS 145.A ND1 no hydrogen 3.144 N/A GLN 148.A N HIS 145.A ND1 no hydrogen 3.035 N/A GLN 148.A NE2 ASN 147.A OD1 no hydrogen 2.811 N/A GLN 148.A NE2 GLY 179.A O no hydrogen 3.160 N/A GLN 148.A NE2 THR 241.A OG1 no hydrogen 3.037 N/A ILE 153.A N GLU 149.A O no hydrogen 2.918 N/A ALA 154.A N PRO 150.A O no hydrogen 2.884 N/A GLY 155.A N ALA 151.A O no hydrogen 3.129 N/A GLN 156.A N VAL 152.A O no hydrogen 2.943 N/A GLY 157.A N ILE 153.A O no hydrogen 3.064 N/A THR 158.A N GLY 155.A O no hydrogen 3.180 N/A THR 158.A OG1 GLY 155.A O no hydrogen 2.663 N/A ILE 159.A N GLN 156.A O no hydrogen 3.160 N/A ALA 160.A N GLY 157.A O no hydrogen 2.964 N/A GLU 162.A N THR 158.A O no hydrogen 3.313 N/A VAL 163.A N ILE 159.A O no hydrogen 2.926 N/A LEU 164.A N ALA 160.A O no hydrogen 2.935 N/A ASN 165.A N GLU 162.A O no hydrogen 3.058 N/A GLN 166.A N GLU 162.A O no hydrogen 2.814 N/A GLN 166.A NE2 THR 24.A O no hydrogen 2.973 N/A VAL 167.A N VAL 163.A O no hydrogen 2.811 N/A VAL 170.A N VAL 167.A O no hydrogen 2.933 N/A ASP 171.A N ASN 300.A O no hydrogen 2.689 N/A ALA 172.A N ASN 300.A O no hydrogen 3.188 N/A LEU 173.A N LYS 198.A O no hydrogen 2.843 N/A VAL 174.A N CYS 302.A O no hydrogen 2.841 N/A VAL 175.A N TYR 200.A O no hydrogen 2.872 N/A VAL 177.A N ALA 202.A O no hydrogen 2.945 N/A ALA 184.A N GLY 180.A O no hydrogen 2.851 N/A GLY 185.A N GLY 181.A O no hydrogen 2.956 N/A ILE 186.A N MET 182.A O no hydrogen 2.857 N/A ALA 187.A N LEU 183.A O no hydrogen 2.856 N/A ILE 188.A N ALA 184.A O no hydrogen 2.943 N/A THR 189.A N GLY 185.A O no hydrogen 3.183 N/A THR 189.A OG1 GLY 157.A O no hydrogen 3.569 N/A THR 189.A OG1 GLY 185.A O no hydrogen 2.775 N/A VAL 190.A N ILE 186.A O no hydrogen 2.839 N/A LYS 191.A N ALA 187.A O no hydrogen 2.982 N/A LYS 191.A NZ PRO 195.A O no hydrogen 2.960 N/A LYS 191.A NZ VAL 197.A O no hydrogen 2.876 N/A LYS 191.A NZ ASP 250.A OD2 no hydrogen 2.816 N/A ALA 192.A N ILE 188.A O no hydrogen 3.130 N/A ALA 192.A N THR 189.A O no hydrogen 3.209 N/A LEU 193.A N THR 189.A O no hydrogen 3.052 N/A LYS 194.A N VAL 190.A O no hydrogen 2.845 N/A LYS 194.A NZ SER 196.A OG no hydrogen 2.921 N/A VAL 197.A N LYS 194.A O no hydrogen 2.964 N/A LYS 198.A N ASP 171.A O no hydrogen 2.921 N/A LYS 198.A NZ SER 196.A O no hydrogen 3.341 N/A VAL 199.A N ASP 250.A OD2 no hydrogen 2.883 N/A TYR 200.A N LEU 173.A O no hydrogen 2.847 N/A ALA 201.A N ASP 251.A O no hydrogen 2.965 N/A ALA 202.A N VAL 175.A O no hydrogen 2.862 N/A GLU 203.A N PHE 253.A O no hydrogen 2.884 N/A SER 205.A N VAL 255.A O no hydrogen 2.818 N/A ALA 207.A N PRO 204.A O no hydrogen 2.897 N/A CYS 210.A N GLU 203.A OE2 no hydrogen 2.822 N/A TYR 211.A N GLU 203.A OE1 no hydrogen 2.792 N/A GLN 212.A N ASP 208.A O no hydrogen 2.886 N/A GLN 212.A NE2 ASP 208.A OD2 no hydrogen 2.876 N/A SER 213.A N ASP 209.A O no hydrogen 2.789 N/A SER 213.A OG ASP 209.A O no hydrogen 2.720 N/A LYS 214.A N CYS 210.A O no hydrogen 2.983 N/A LYS 214.A NZ ILE 245.A O no hydrogen 2.963 N/A LYS 214.A NZ ARG 246.A O no hydrogen 2.942 N/A LYS 214.A NZ VAL 249.A O no hydrogen 2.853 N/A LEU 215.A N TYR 211.A O no hydrogen 3.003 N/A LYS 216.A N GLN 212.A O no hydrogen 2.951 N/A LYS 216.A NZ GLN 212.A OE1 no hydrogen 2.929 N/A GLY 217.A N SER 213.A O no hydrogen 2.796 N/A LYS 218.A N SER 213.A O no hydrogen 3.209 N/A MET 220.A N SER 213.A OG no hydrogen 2.826 N/A ASN 222.A N SER 236.A OG no hydrogen 2.910 N/A ASN 222.A ND2 ASP 209.A OD1 no hydrogen 3.415 N/A THR 228.A OG1 GLU 257.A OE1 no hydrogen 3.468 N/A THR 228.A OG1 GLU 257.A OE2 no hydrogen 2.655 N/A ILE 229.A N GLU 257.A OE1 no hydrogen 2.771 N/A ALA 230.A N THR 228.A OG1 no hydrogen 2.937 N/A GLY 232.A N THR 278.A OG1 no hydrogen 2.931 N/A VAL 233.A N ALA 230.A O no hydrogen 3.214 N/A SER 236.A N ASP 125.A OD2 no hydrogen 3.082 N/A SER 236.A OG ASP 125.A OD2 no hydrogen 3.037 N/A SER 236.A OG ASN 222.A OD1 no hydrogen 3.253 N/A ILE 237.A N ASP 209.A OD2 no hydrogen 2.868 N/A GLY 238.A N THR 241.A OG1 no hydrogen 3.401 N/A ASN 240.A N GLN 148.A OE1 no hydrogen 2.764 N/A ASN 240.A ND2 GLN 148.A O no hydrogen 2.818 N/A THR 241.A N GLN 148.A OE1 no hydrogen 3.075 N/A THR 241.A OG1 GLY 179.A O no hydrogen 2.775 N/A TRP 242.A N GLY 238.A O no hydrogen 2.955 N/A ILE 245.A N THR 241.A O no hydrogen 2.986 N/A ARG 246.A N TRP 242.A O no hydrogen 2.745 N/A ARG 246.A NE ASP 247.A OD1 no hydrogen 2.849 N/A ARG 246.A NH2 ASP 247.A OD1 no hydrogen 3.566 N/A ARG 246.A NH2 ASP 247.A OD2 no hydrogen 3.124 N/A ASP 247.A N PRO 243.A O no hydrogen 3.114 N/A LEU 248.A N ILE 244.A O no hydrogen 2.798 N/A VAL 249.A N ILE 245.A O no hydrogen 3.247 N/A ASP 250.A N VAL 199.A O no hydrogen 2.883 N/A ILE 252.A N ASP 251.A OD1 no hydrogen 2.831 N/A PHE 253.A N ALA 201.A O no hydrogen 2.887 N/A VAL 255.A N GLU 203.A O no hydrogen 2.907 N/A THR 256.A N GLU 259.A OE1 no hydrogen 2.828 N/A THR 256.A OG1 GLU 259.A OE1 no hydrogen 3.028 N/A GLU 259.A N THR 256.A OG1 no hydrogen 3.370 N/A ILE 260.A N THR 256.A O no hydrogen 2.910 N/A LYS 261.A N GLU 257.A O no hydrogen 2.940 N/A CYS 262.A N ASP 258.A O no hydrogen 2.938 N/A CYS 262.A SG.A ASP 258.A O no hydrogen 3.262 N/A CYS 262.A SG.A ASP 258.A OD2 no hydrogen 3.756 N/A ALA 263.A N GLU 259.A O no hydrogen 2.951 N/A THR 264.A N ILE 260.A O no hydrogen 2.980 N/A THR 264.A OG1 ILE 260.A O no hydrogen 2.788 N/A GLN 265.A N LYS 261.A O no hydrogen 3.036 N/A GLN 265.A NE2 GLU 269.A OE2 no hydrogen 3.248 N/A GLN 265.A NE2 LYS 320.A O no hydrogen 2.792 N/A LEU 266.A N CYS 262.A O no hydrogen 2.953 N/A VAL 267.A N ALA 263.A O no hydrogen 3.009 N/A TRP 268.A N THR 264.A O no hydrogen 3.034 N/A TRP 268.A NE1 ILE 275.A O no hydrogen 2.826 N/A GLU 269.A N GLN 265.A O no hydrogen 2.902 N/A ARG 270.A N LEU 266.A O no hydrogen 2.802 N/A MET 271.A N VAL 267.A O no hydrogen 2.852 N/A LYS 272.A N TRP 268.A O no hydrogen 3.097 N/A LYS 272.A NZ GLU 269.A O no hydrogen 2.768 N/A ILE 275.A N LEU 273.A O no hydrogen 2.899 N/A GLU 276.A N GLY 307.A O no hydrogen 3.005 N/A ALA 279.A N GLU 276.A O no hydrogen 2.852 N/A GLY 280.A N GLU 276.A O no hydrogen 3.264 N/A GLY 280.A N PRO 277.A O no hydrogen 2.862 N/A VAL 281.A N THR 278.A O no hydrogen 3.171 N/A ALA 284.A N GLY 280.A O no hydrogen 2.828 N/A ALA 285.A N VAL 281.A O no hydrogen 2.959 N/A VAL 286.A N GLY 282.A O no hydrogen 3.272 N/A LEU 287.A N VAL 283.A O no hydrogen 3.128 N/A SER 288.A N ALA 285.A O no hydrogen 3.144 N/A SER 288.A OG ALA 285.A O no hydrogen 2.691 N/A PHE 291.A N SER 288.A O no hydrogen 3.155 N/A GLN 292.A N GLN 289.A O no hydrogen 3.072 N/A THR 293.A N HIS 290.A O no hydrogen 3.129 N/A THR 293.A OG1 HIS 290.A O no hydrogen 2.662 N/A VAL 294.A N PHE 291.A O no hydrogen 3.129 N/A GLU 297.A N SER 295.A OG no hydrogen 3.079 N/A VAL 298.A N SER 295.A O no hydrogen 3.037 N/A LYS 299.A N ASP 171.A OD2 no hydrogen 3.030 N/A LYS 299.A NZ GLY 37.A O no hydrogen 3.528 N/A ASN 300.A N ASP 171.A OD2 no hydrogen 2.882 N/A ILE 301.A N ASN 39.A O no hydrogen 2.896 N/A CYS 302.A N ALA 172.A O no hydrogen 2.849 N/A CYS 302.A SG PHE 41.A O no hydrogen 3.661 N/A ILE 303.A N PHE 41.A O no hydrogen 2.795 N/A VAL 304.A N VAL 174.A O no hydrogen 3.060 N/A LEU 305.A N LYS 43.A O no hydrogen 2.892 N/A GLY 308.A N GLY 51.A O no hydrogen 2.831 N/A ASN 309.A N GLU 276.A OE2 no hydrogen 3.005 N/A ASN 309.A ND2 THR 50.A O no hydrogen 2.992 N/A ASN 309.A ND2 ASN 79.A OD1 no hydrogen 2.824 N/A SER 315.A N LEU 312.A O no hydrogen 3.282 N/A SER 315.A OG ASP 311.A O no hydrogen 2.747 N/A THR 317.A OG1 SER 314.A O no hydrogen 3.416 N/A LYS 320.A N GLN 265.A OE1 no hydrogen 3.358 N/A