Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3d6n_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N LEU 116.A O no hydrogen 2.792 N/A SER 7.A N GLN 125.A OE1 no hydrogen 2.918 N/A SER 7.A OG GLN 125.A OE1 no hydrogen 3.518 N/A SER 7.A OG SER 163.A O no hydrogen 2.707 N/A LEU 8.A N SER 6.A OG no hydrogen 3.122 N/A ASP 9.A N SER 6.A O no hydrogen 3.199 N/A LEU 10.A N SER 7.A O no hydrogen 3.241 N/A THR 11.A N GLU 14.A OE1 no hydrogen 2.938 N/A GLU 14.A N THR 11.A OG1 no hydrogen 3.260 N/A VAL 15.A N THR 11.A O no hydrogen 2.990 N/A GLU 16.A N ARG 12.A O no hydrogen 2.965 N/A GLU 17.A N GLU 13.A O no hydrogen 2.889 N/A ILE 18.A N GLU 14.A O no hydrogen 2.877 N/A LEU 19.A N VAL 15.A O no hydrogen 2.859 N/A LYS 20.A N GLU 16.A O no hydrogen 2.944 N/A TYR 21.A N GLU 17.A O no hydrogen 3.103 N/A TYR 21.A OH GLU 17.A OE2 no hydrogen 2.984 N/A ALA 22.A N ILE 18.A O no hydrogen 2.918 N/A LYS 23.A N LEU 19.A O no hydrogen 3.062 N/A GLU 24.A N LYS 20.A O no hydrogen 3.040 N/A PHE 25.A N TYR 21.A O no hydrogen 2.822 N/A LYS 26.A N ALA 22.A O no hydrogen 2.808 N/A LYS 26.A NZ ASN 277.A OD1 no hydrogen 2.570 N/A GLU 27.A N LYS 23.A O no hydrogen 2.929 N/A GLY 28.A N PHE 25.A O no hydrogen 3.197 N/A LYS 29.A N GLU 24.A O no hydrogen 2.995 N/A LYS 29.A NZ GLU 24.A OE1 no hydrogen 2.916 N/A ILE 33.A N LEU 59.A O no hydrogen 2.812 N/A SER 36.A N ASP 92.A OD2 no hydrogen 3.028 N/A ALA 37.A N GLU 62.A O no hydrogen 2.783 N/A VAL 38.A N TYR 93.A O no hydrogen 2.919 N/A LEU 39.A N TYR 64.A O no hydrogen 2.752 N/A PHE 40.A N VAL 95.A O no hydrogen 2.721 N/A PHE 41.A N VAL 66.A O no hydrogen 2.812 N/A SER 42.A N ARG 97.A O no hydrogen 2.975 N/A GLU 43.A N ARG 97.A O no hydrogen 3.211 N/A SER 45.A OG THR 48.A OG1 no hydrogen 3.078 N/A THR 48.A OG1 SER 45.A OG no hydrogen 3.078 N/A ARG 49.A N SER 45.A O no hydrogen 2.887 N/A ARG 49.A NH1 GLU 53.A OE1 no hydrogen 2.668 N/A LEU 50.A N THR 46.A O no hydrogen 2.864 N/A SER 51.A N ARG 47.A O no hydrogen 3.230 N/A PHE 52.A N THR 48.A O no hydrogen 3.075 N/A GLU 53.A N ARG 49.A O no hydrogen 2.776 N/A LYS 54.A N LEU 50.A O no hydrogen 2.848 N/A LYS 54.A NZ GLU 58.A OE2 no hydrogen 2.757 N/A ALA 55.A N SER 51.A O no hydrogen 3.045 N/A ALA 56.A N PHE 52.A O no hydrogen 3.030 N/A ARG 57.A N GLU 53.A O no hydrogen 2.934 N/A ARG 57.A NH1 GLU 53.A OE2 no hydrogen 3.072 N/A GLU 58.A N LYS 54.A O no hydrogen 3.004 N/A LEU 59.A N ALA 56.A O no hydrogen 2.999 N/A GLY 60.A N ARG 57.A O no hydrogen 2.905 N/A ILE 61.A N ALA 56.A O no hydrogen 3.002 N/A GLU 62.A N ALA 35.A O no hydrogen 3.050 N/A TYR 64.A N ALA 37.A O no hydrogen 2.982 N/A VAL 66.A N LEU 39.A O no hydrogen 2.799 N/A SER 67.A N GLU 70.A OE1 no hydrogen 2.850 N/A GLY 68.A N PHE 41.A O no hydrogen 2.846 N/A GLU 70.A N SER 67.A O no hydrogen 2.991 N/A SER 72.A N GLY 68.A O no hydrogen 2.732 N/A SER 72.A OG GLY 68.A O no hydrogen 2.645 N/A GLU 77.A N VAL 74.A O no hydrogen 3.032 N/A ASP 81.A N SER 78.A OG no hydrogen 3.208 N/A THR 82.A N SER 78.A O no hydrogen 3.179 N/A THR 82.A OG1 GLU 77.A OE1 no hydrogen 3.357 N/A THR 82.A OG1 SER 78.A O no hydrogen 3.279 N/A LEU 83.A N PHE 79.A O no hydrogen 2.991 N/A LYS 84.A N PHE 80.A O no hydrogen 2.868 N/A LYS 84.A NZ GLU 87.A OE1 no hydrogen 2.605 N/A THR 85.A N ASP 81.A O no hydrogen 2.833 N/A THR 85.A OG1 ASP 81.A O no hydrogen 2.840 N/A PHE 86.A N THR 82.A O no hydrogen 3.059 N/A GLU 87.A N LEU 83.A O no hydrogen 2.907 N/A GLY 88.A N LYS 84.A O no hydrogen 2.957 N/A LEU 89.A N THR 85.A O no hydrogen 2.899 N/A GLY 90.A N GLU 87.A O no hydrogen 2.878 N/A PHE 91.A N PHE 86.A O no hydrogen 3.216 N/A ASP 92.A N SER 36.A O no hydrogen 3.110 N/A TYR 93.A N SER 36.A O no hydrogen 3.141 N/A TYR 93.A OH TYR 286.A O no hydrogen 2.555 N/A VAL 94.A N ARG 115.A O no hydrogen 2.908 N/A VAL 95.A N VAL 38.A O no hydrogen 2.875 N/A PHE 96.A N VAL 117.A O no hydrogen 2.904 N/A ARG 97.A N PHE 40.A O no hydrogen 2.812 N/A ARG 97.A NH1 ALA 119.A O no hydrogen 2.787 N/A VAL 98.A N GLY 120.A O no hydrogen 2.941 N/A PHE 102.A N ASP 121.A OD2 no hydrogen 2.813 N/A TYR 105.A OH ASP 9.A OD1 no hydrogen 3.255 N/A TYR 105.A OH ASP 9.A OD2 no hydrogen 2.554 N/A VAL 109.A N TYR 105.A O no hydrogen 2.978 N/A LYS 110.A N LYS 106.A O no hydrogen 3.058 N/A SER 111.A N GLU 107.A O no hydrogen 3.233 N/A SER 111.A N ILE 108.A O no hydrogen 3.098 N/A SER 111.A OG ILE 108.A O no hydrogen 2.907 N/A LEU 112.A N VAL 109.A O no hydrogen 3.246 N/A ASN 113.A N GLU 87.A OE2 no hydrogen 2.734 N/A ARG 115.A N ASP 92.A O no hydrogen 2.922 N/A ARG 115.A NH1 LEU 289.A O no hydrogen 2.900 N/A ARG 115.A NH1 THR 291.A O no hydrogen 2.430 N/A LEU 116.A N SER 3.A OG no hydrogen 2.850 N/A VAL 117.A N VAL 94.A O no hydrogen 2.808 N/A ASN 118.A N LEU 4.A O no hydrogen 2.922 N/A ASN 118.A ND2 ILE 5.A O no hydrogen 2.785 N/A ASN 118.A ND2 ASP 121.A OD1 no hydrogen 2.705 N/A ASN 118.A ND2 GLN 125.A O no hydrogen 3.518 N/A ALA 119.A N PHE 96.A O no hydrogen 2.703 N/A GLY 120.A N ASN 118.A OD1 no hydrogen 2.830 N/A ASP 121.A N GLN 125.A O no hydrogen 3.124 N/A GLY 122.A N VAL 98.A O no hydrogen 2.969 N/A THR 123.A OG1 HIS 157.A O no hydrogen 3.528 N/A HIS 124.A N ASP 121.A O no hydrogen 2.973 N/A HIS 124.A ND1 ASP 121.A OD2 no hydrogen 2.591 N/A GLN 125.A N ASP 121.A OD1 no hydrogen 3.020 N/A GLN 125.A NE2 ARG 162.A O no hydrogen 2.928 N/A HIS 126.A N SER 163.A OG no hydrogen 2.692 N/A GLN 129.A N HIS 126.A O no hydrogen 3.005 N/A GLN 129.A NE2 ASP 133.A OD1 no hydrogen 2.786 N/A GLY 130.A N HIS 126.A O no hydrogen 3.223 N/A LEU 131.A N PRO 127.A O no hydrogen 2.978 N/A ILE 132.A N SER 128.A O no hydrogen 2.903 N/A ASP 133.A N GLN 129.A O no hydrogen 2.875 N/A PHE 134.A N GLY 130.A O no hydrogen 2.923 N/A PHE 135.A N LEU 131.A O no hydrogen 2.769 N/A THR 136.A N ILE 132.A O no hydrogen 2.898 N/A THR 136.A OG1 ILE 132.A O no hydrogen 2.716 N/A ILE 137.A N ASP 133.A O no hydrogen 3.114 N/A LYS 138.A N PHE 134.A O no hydrogen 2.837 N/A GLU 139.A N PHE 135.A O no hydrogen 2.790 N/A HIS 140.A N THR 136.A O no hydrogen 3.209 N/A PHE 141.A N ILE 137.A O no hydrogen 3.009 N/A GLY 142.A N LYS 138.A O no hydrogen 2.618 N/A ASP 146.A N GLY 172.A O no hydrogen 2.826 N/A LEU 147.A N VAL 144.A O no hydrogen 3.018 N/A ARG 148.A N ASP 207.A OD2 no hydrogen 2.866 N/A ARG 148.A NE TRP 205.A O no hydrogen 2.656 N/A VAL 149.A N LYS 174.A O no hydrogen 2.851 N/A LEU 150.A N VAL 208.A O no hydrogen 2.954 N/A TYR 151.A N GLY 176.A O no hydrogen 2.848 N/A VAL 152.A N ILE 210.A O no hydrogen 2.884 N/A GLY 153.A N CYS 178.A O no hydrogen 2.882 N/A ILE 155.A N GLY 153.A O no hydrogen 2.914 N/A LYS 156.A N LEU 183.A O no hydrogen 2.814 N/A LYS 156.A NZ THR 182.A O no hydrogen 3.453 N/A HIS 157.A N ASP 154.A OD1 no hydrogen 3.241 N/A HIS 157.A ND1 ASP 154.A OD1 no hydrogen 2.742 N/A SER 158.A N ILE 155.A O no hydrogen 3.051 N/A ARG 159.A NH1 GLU 43.A OE2 no hydrogen 2.949 N/A ARG 159.A NH2 GLU 43.A OE2 no hydrogen 2.871 N/A PHE 161.A N SER 158.A OG no hydrogen 3.207 N/A ARG 162.A N SER 158.A O no hydrogen 3.190 N/A ARG 162.A NH1 THR 123.A O no hydrogen 2.870 N/A ARG 162.A NH1 LYS 156.A O no hydrogen 2.832 N/A ARG 162.A NH2 LYS 156.A O no hydrogen 3.025 N/A SER 163.A N ARG 159.A O no hydrogen 2.996 N/A SER 163.A OG GLN 125.A OE1 no hydrogen 2.458 N/A SER 163.A OG ARG 159.A O no hydrogen 3.250 N/A GLY 164.A N VAL 160.A O no hydrogen 2.893 N/A ALA 165.A N PHE 161.A O no hydrogen 2.978 N/A LEU 168.A N GLY 164.A O no hydrogen 2.959 N/A ASN 169.A N ALA 165.A O no hydrogen 2.861 N/A ASN 169.A ND2 PHE 191.A O no hydrogen 2.725 N/A MET 170.A N PRO 166.A O no hydrogen 3.027 N/A PHE 171.A N LEU 167.A O no hydrogen 3.343 N/A PHE 171.A N LEU 168.A O no hydrogen 3.225 N/A GLY 172.A N ASN 169.A O no hydrogen 3.078 N/A ALA 173.A N LEU 168.A O no hydrogen 3.036 N/A LYS 174.A N LEU 147.A O no hydrogen 2.678 N/A LYS 174.A NZ LYS 192.A O no hydrogen 3.472 N/A GLY 176.A N VAL 149.A O no hydrogen 2.796 N/A VAL 177.A N ASP 194.A O no hydrogen 2.930 N/A CYS 178.A N TYR 151.A O no hydrogen 2.960 N/A CYS 178.A SG PHE 196.A O no hydrogen 3.407 N/A THR 182.A OG1 TYR 223.A O no hydrogen 2.779 N/A LEU 183.A N PRO 180.A O no hydrogen 2.727 N/A ILE 184.A N LYS 181.A O no hydrogen 3.393 N/A VAL 188.A N PRO 185.A O no hydrogen 3.096 N/A VAL 190.A N ASP 187.A O no hydrogen 2.970 N/A PHE 191.A N VAL 188.A O no hydrogen 2.985 N/A LYS 192.A N GLU 189.A O no hydrogen 2.844 N/A ASP 194.A N ILE 175.A O no hydrogen 2.888 N/A PHE 196.A N VAL 177.A O no hydrogen 2.931 N/A ASP 200.A N ASP 198.A OD2 no hydrogen 2.835 N/A GLY 202.A N ASP 198.A O no hydrogen 3.136 N/A ILE 203.A N VAL 199.A O no hydrogen 2.704 N/A ASP 204.A N ASP 200.A O no hydrogen 3.050 N/A TRP 205.A N LYS 201.A O no hydrogen 3.213 N/A ALA 206.A N GLY 202.A O no hydrogen 3.078 N/A ASP 207.A N ARG 148.A O no hydrogen 2.815 N/A VAL 208.A N ARG 148.A O no hydrogen 3.490 N/A VAL 209.A N LEU 246.A O no hydrogen 3.017 N/A ILE 210.A N LEU 150.A O no hydrogen 2.672 N/A TRP 211.A N MET 248.A O no hydrogen 3.060 N/A LEU 212.A N VAL 152.A O no hydrogen 2.872 N/A ARG 213.A NH1 PRO 252.A O no hydrogen 2.725 N/A LEU 214.A N ASP 258.A OD1 no hydrogen 2.870 N/A GLN 215.A NE2 GLU 217.A OE1 no hydrogen 2.576 N/A GLU 217.A N GLU 217.A OE2 no hydrogen 2.640 N/A ARG 218.A N GLN 215.A O no hydrogen 2.957 N/A ARG 218.A NE ASP 154.A OD2 no hydrogen 2.719 N/A ARG 218.A NH1 GLU 221.A OE1 no hydrogen 2.824 N/A ARG 218.A NH2 ASP 154.A OD2 no hydrogen 3.552 N/A GLN 219.A N LYS 216.A O no hydrogen 2.984 N/A GLN 219.A NE2 PRO 225.A O no hydrogen 3.147 N/A GLU 221.A N GLU 217.A O no hydrogen 3.033 N/A ASN 222.A N GLN 219.A O no hydrogen 2.943 N/A TYR 223.A N ARG 218.A O no hydrogen 3.004 N/A SER 229.A N SER 226.A OG no hydrogen 3.266 N/A TYR 230.A N SER 226.A O no hydrogen 3.089 N/A PHE 231.A N GLU 227.A O no hydrogen 2.972 N/A LYS 232.A N SER 228.A O no hydrogen 3.214 N/A GLN 233.A N SER 229.A O no hydrogen 2.899 N/A PHE 234.A N TYR 230.A O no hydrogen 2.813 N/A GLY 235.A N PHE 231.A O no hydrogen 2.858 N/A LEU 236.A N ASP 258.A O no hydrogen 2.763 N/A LYS 238.A NZ ASP 260.A OD1 no hydrogen 3.266 N/A LYS 238.A NZ ASP 260.A OD2 no hydrogen 3.093 N/A ARG 240.A N THR 237.A OG1 no hydrogen 3.217 N/A ARG 240.A NE ASP 200.A OD1 no hydrogen 2.859 N/A ARG 240.A NH1 PHE 231.A O no hydrogen 3.545 N/A ARG 240.A NH1 LYS 232.A O no hydrogen 2.945 N/A ARG 240.A NH1 GLY 235.A O no hydrogen 3.025 N/A ARG 240.A NH2 LYS 232.A O no hydrogen 2.845 N/A PHE 241.A N THR 237.A O no hydrogen 2.950 N/A LYS 243.A N ARG 240.A O no hydrogen 2.935 N/A VAL 244.A N ARG 240.A O no hydrogen 3.017 N/A LYS 245.A NZ ASP 204.A O no hydrogen 2.801 N/A LYS 245.A NZ ALA 206.A O no hydrogen 3.096 N/A TYR 247.A N LYS 268.A O no hydrogen 3.015 N/A TYR 247.A OH LEU 263.A O no hydrogen 2.389 N/A TYR 247.A OH THR 266.A OG1 no hydrogen 2.649 N/A MET 248.A N VAL 209.A O no hydrogen 2.757 N/A HIS 249.A N GLN 274.A OE1 no hydrogen 2.933 N/A HIS 249.A ND1 GLY 251.A O no hydrogen 3.105 N/A HIS 249.A NE2 ASP 258.A OD2 no hydrogen 2.548 N/A ASN 254.A N ASP 258.A OD2 no hydrogen 3.139 N/A ASN 254.A ND2 LEU 214.A O no hydrogen 2.946 N/A ASN 254.A ND2 GLU 227.A OE2 no hydrogen 3.126 N/A ARG 255.A NH1 HIS 261.A O no hydrogen 2.708 N/A ASN 256.A N ILE 259.A O no hydrogen 2.812 N/A VAL 257.A N ASN 254.A O no hydrogen 3.069 N/A ASP 258.A N ASN 254.A O no hydrogen 3.009 N/A ASP 260.A N LEU 236.A O no hydrogen 2.800 N/A HIS 261.A N ASN 256.A OD1 no hydrogen 2.880 N/A GLU 262.A N ASP 260.A OD2 no hydrogen 2.997 N/A LEU 263.A N ASP 260.A O no hydrogen 2.798 N/A THR 266.A OG1 TYR 247.A OH no hydrogen 2.649 N/A LYS 268.A N THR 266.A OG1 no hydrogen 3.087 N/A LYS 268.A NZ PHE 241.A O no hydrogen 2.748 N/A LYS 268.A NZ VAL 244.A O no hydrogen 2.717 N/A SER 269.A N THR 266.A O no hydrogen 3.158 N/A SER 269.A OG VAL 264.A O no hydrogen 2.675 N/A LEU 270.A N TYR 247.A O no hydrogen 2.822 N/A ILE 271.A N SER 269.A OG no hydrogen 3.248 N/A GLN 274.A N LEU 270.A O no hydrogen 2.983 N/A GLN 274.A NE2 ASP 133.A OD1 no hydrogen 2.803 N/A VAL 275.A N ILE 271.A O no hydrogen 3.350 N/A LYS 276.A N GLN 272.A O no hydrogen 2.967 N/A LYS 276.A NZ GLU 273.A OE2 no hydrogen 2.773 N/A ASN 277.A N GLU 273.A O no hydrogen 2.791 N/A ASN 277.A ND2 THR 136.A OG1 no hydrogen 3.176 N/A GLY 278.A N GLN 274.A O no hydrogen 3.235 N/A GLY 278.A N VAL 275.A O no hydrogen 3.294 N/A VAL 281.A N ASN 277.A O no hydrogen 3.128 N/A ARG 282.A N GLY 278.A O no hydrogen 2.913 N/A ARG 282.A NE SER 128.A OG no hydrogen 3.013 N/A ARG 282.A NH1 SER 51.A OG no hydrogen 2.948 N/A ARG 282.A NH2 SER 128.A OG no hydrogen 2.862 N/A ARG 282.A NH2 GLN 129.A OE1 no hydrogen 3.556 N/A LYS 283.A N ILE 279.A O no hydrogen 2.784 N/A LYS 283.A NZ GLU 58.A OE1 no hydrogen 2.904 N/A ALA 284.A N PRO 280.A O no hydrogen 3.117 N/A ILE 285.A N VAL 281.A O no hydrogen 2.975 N/A TYR 286.A N ARG 282.A O no hydrogen 3.085 N/A TYR 286.A OH PHE 52.A O no hydrogen 2.914 N/A LYS 287.A N LYS 283.A O no hydrogen 2.905 N/A LYS 287.A NZ GLU 31.A OE1 no hydrogen 2.826 N/A PHE 288.A N ALA 284.A O no hydrogen 2.745 N/A LEU 289.A N ILE 285.A O no hydrogen 2.956 N/A TRP 290.A N LYS 287.A O no hydrogen 3.006 N/A THR 291.A N LEU 289.A O no hydrogen 2.902 N/A