Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kwc_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N LEU 164.A O no hydrogen 3.137 N/A GLU 3.A N GLU 65.A O no hydrogen 2.823 N/A ARG 4.A NE ASP 140.A O no hydrogen 2.821 N/A ARG 4.A NH1 ASP 67.A OD2 no hydrogen 3.305 N/A ARG 4.A NH2 GLU 65.A OE1 no hydrogen 2.946 N/A ARG 4.A NH2 ASP 67.A OD2 no hydrogen 2.813 N/A GLY 6.A N GLY 63.A O no hydrogen 3.065 N/A TYR 7.A OH GLU 114.A OE1 no hydrogen 2.612 N/A LEU 8.A N ARG 48.A O no hydrogen 2.997 N/A GLY 9.A N TYR 61.A O no hydrogen 2.979 N/A PHE 10.A N ALA 50.A O no hydrogen 2.585 N/A ALA 11.A N ASP 58.A O no hydrogen 2.960 N/A VAL 12.A N GLN 52.A O no hydrogen 2.766 N/A LYS 13.A N ASP 57.A OD1 no hydrogen 3.078 N/A ALA 17.A N ASP 14.A OD2 no hydrogen 3.097 N/A TRP 18.A N ASP 14.A O no hydrogen 3.064 N/A TRP 18.A NE1 SER 254.A OG no hydrogen 3.048 N/A ASP 19.A N VAL 15.A O no hydrogen 2.829 N/A HIS 20.A N PRO 16.A O no hydrogen 3.044 N/A PHE 21.A N ALA 17.A O no hydrogen 2.889 N/A LEU 22.A N TRP 18.A O no hydrogen 2.786 N/A THR 23.A N ASP 19.A O no hydrogen 3.034 N/A THR 23.A OG1 ASP 19.A O no hydrogen 2.633 N/A THR 23.A OG1 HIS 20.A O no hydrogen 3.357 N/A LYS 24.A N THR 23.A OG1 no hydrogen 2.709 N/A SER 25.A N HIS 20.A O no hydrogen 3.442 N/A VAL 26.A N PHE 21.A O no hydrogen 3.007 N/A GLY 27.A N THR 23.A O no hydrogen 3.044 N/A LEU 28.A N LEU 22.A O no hydrogen 2.846 N/A MET 29.A N ARG 41.A O no hydrogen 2.974 N/A ALA 31.A N LEU 39.A O no hydrogen 2.773 N/A ALA 34.A N ALA 37.A O no hydrogen 2.842 N/A ALA 37.A N ALA 34.A O no hydrogen 2.979 N/A ALA 38.A N VAL 51.A O no hydrogen 2.868 N/A LEU 39.A N GLY 32.A O no hydrogen 2.952 N/A TYR 40.A N ILE 49.A O no hydrogen 2.882 N/A TYR 40.A OH ASP 19.A OD1 no hydrogen 2.824 N/A ARG 41.A N MET 29.A O no hydrogen 2.683 N/A ARG 41.A NE ASP 43.A O no hydrogen 3.180 N/A ARG 41.A NE ARG 45.A O no hydrogen 3.088 N/A ARG 41.A NH1 ASP 43.A O no hydrogen 2.888 N/A ARG 41.A NH1 GLU 125.A O no hydrogen 2.879 N/A ARG 41.A NH2 GLU 125.A O no hydrogen 2.600 N/A GLN 44.A N GLN 44.A OE1 no hydrogen 2.767 N/A GLN 44.A NE2 GLU 121.A OE1 no hydrogen 3.169 N/A ARG 45.A N ASP 43.A OD2 no hydrogen 2.978 N/A ARG 45.A NE GLU 121.A OE1 no hydrogen 2.960 N/A ARG 45.A NH1 GLU 65.A OE1 no hydrogen 3.403 N/A ARG 45.A NH1 GLU 65.A OE2 no hydrogen 3.482 N/A ARG 45.A NH2 GLU 65.A OE2 no hydrogen 2.778 N/A ALA 46.A N ALA 120.A O no hydrogen 2.942 N/A TRP 47.A NE1 ARG 97.A O no hydrogen 2.815 N/A ARG 48.A N TYR 40.A O no hydrogen 2.922 N/A ARG 48.A NE ASP 43.A OD1 no hydrogen 3.286 N/A ARG 48.A NE ASP 43.A OD2 no hydrogen 3.071 N/A ARG 48.A NH1 ASP 43.A OD1 no hydrogen 2.744 N/A ARG 48.A NH2 GLY 6.A O no hydrogen 2.925 N/A ILE 49.A N TYR 40.A O no hydrogen 3.266 N/A ALA 50.A N LEU 8.A O no hydrogen 2.798 N/A VAL 51.A N ALA 38.A O no hydrogen 3.031 N/A GLN 52.A N PHE 10.A O no hydrogen 2.885 N/A GLY 54.A N VAL 12.A O no hydrogen 2.798 N/A ASP 58.A N ALA 11.A O no hydrogen 3.052 N/A LEU 59.A N ASP 58.A OD2 no hydrogen 2.783 N/A ALA 60.A N GLY 9.A O no hydrogen 2.656 N/A TYR 61.A N GLY 9.A O no hydrogen 3.302 N/A ALA 62.A N PRO 112.A O no hydrogen 3.168 N/A GLY 63.A N TYR 7.A O no hydrogen 2.925 N/A LEU 64.A N GLU 114.A O no hydrogen 2.529 N/A GLU 65.A N ARG 4.A O no hydrogen 2.896 N/A VAL 66.A N TYR 116.A O no hydrogen 2.922 N/A ALA 71.A N ASP 68.A OD1 no hydrogen 2.712 N/A LEU 72.A N ASP 68.A O no hydrogen 3.227 N/A GLU 73.A N ALA 69.A O no hydrogen 3.052 N/A ARG 74.A N ALA 70.A O no hydrogen 2.984 N/A MET 75.A N ALA 71.A O no hydrogen 2.967 N/A ALA 76.A N LEU 72.A O no hydrogen 3.030 N/A ASP 77.A N GLU 73.A O no hydrogen 2.896 N/A LYS 78.A N ARG 74.A O no hydrogen 3.040 N/A LEU 79.A N MET 75.A O no hydrogen 2.920 N/A ARG 80.A N ALA 76.A O no hydrogen 2.950 N/A GLN 81.A N ASP 77.A O no hydrogen 2.925 N/A ALA 82.A N LYS 78.A O no hydrogen 3.020 N/A GLY 83.A N ARG 80.A O no hydrogen 3.092 N/A VAL 84.A N LEU 79.A O no hydrogen 3.009 N/A THR 87.A N CYS 104.A O no hydrogen 2.855 N/A ARG 88.A NH1 GLU 73.A OE2 no hydrogen 2.600 N/A ARG 88.A NH2 GLU 73.A OE1 no hydrogen 3.319 N/A GLY 89.A N LEU 102.A O no hydrogen 2.875 N/A LEU 93.A N ASP 90.A OD1 no hydrogen 2.870 N/A MET 94.A N ASP 90.A O no hydrogen 2.874 N/A GLN 95.A N GLU 91.A O no hydrogen 2.853 N/A GLN 96.A N ALA 92.A O no hydrogen 2.874 N/A GLN 96.A NE2 ALA 34.A O no hydrogen 2.582 N/A ARG 97.A N LEU 93.A O no hydrogen 2.861 N/A ARG 97.A NE GLU 114.A OE1 no hydrogen 2.795 N/A ARG 97.A NE GLU 114.A OE2 no hydrogen 3.346 N/A ARG 97.A NH1 GLU 114.A OE2 no hydrogen 2.783 N/A VAL 99.A N MET 94.A O no hydrogen 3.123 N/A MET 100.A N TYR 117.A O no hydrogen 3.038 N/A LEU 103.A N ILE 115.A O no hydrogen 2.992 N/A CYS 104.A N THR 87.A O no hydrogen 2.678 N/A LEU 105.A N LEU 113.A O no hydrogen 3.006 N/A ASP 107.A N LEU 111.A O no hydrogen 2.909 N/A PHE 109.A N ASP 107.A OD1 no hydrogen 2.761 N/A GLY 110.A N ASP 107.A O no hydrogen 3.044 N/A LEU 111.A N ASP 107.A OD1 no hydrogen 3.103 N/A LEU 113.A N LEU 105.A O no hydrogen 2.796 N/A GLU 114.A N ALA 62.A O no hydrogen 2.782 N/A ILE 115.A N LEU 103.A O no hydrogen 3.026 N/A TYR 116.A N LEU 64.A O no hydrogen 2.822 N/A TYR 116.A OH GLU 65.A OE2 no hydrogen 2.381 N/A TYR 117.A N GLY 101.A O no hydrogen 3.136 N/A ALA 120.A N LYS 98.A O no hydrogen 3.098 N/A ILE 122.A N GLN 44.A O no hydrogen 3.058 N/A GLU 125.A N ILE 122.A O no hydrogen 2.923 N/A SER 130.A N GLY 27.A O no hydrogen 3.010 N/A SER 130.A OG LEU 28.A O no hydrogen 2.506 N/A SER 134.A N ASP 219.A OD2 no hydrogen 2.856 N/A SER 134.A OG ASP 219.A OD1 no hydrogen 2.665 N/A SER 134.A OG ASP 219.A OD2 no hydrogen 3.507 N/A VAL 137.A N GLN 213.A O no hydrogen 2.735 N/A THR 138.A OG1 ASP 43.A OD1 no hydrogen 2.683 N/A GLN 141.A N THR 138.A O no hydrogen 2.904 N/A GLY 142.A N GLY 139.A O no hydrogen 2.910 N/A ILE 143.A N LEU 5.A O no hydrogen 2.866 N/A ALA 145.A N MET 211.A O no hydrogen 3.076 N/A PHE 146.A N THR 195.A O no hydrogen 2.969 N/A VAL 147.A N HIS 209.A O no hydrogen 3.019 N/A ARG 148.A N ALA 197.A O no hydrogen 2.759 N/A ARG 148.A NE ASP 107.A OD2 no hydrogen 2.765 N/A ARG 148.A NH1 ASP 107.A OD1 no hydrogen 2.974 N/A ARG 148.A NH1 ASP 107.A OD2 no hydrogen 3.142 N/A ARG 148.A NH2 ARG 206.A O no hydrogen 2.988 N/A CYS 149.A N ARG 206.A O no hydrogen 2.830 N/A VAL 150.A N ALA 199.A O no hydrogen 3.064 N/A LYS 155.A N ASP 152.A OD1 no hydrogen 2.993 N/A ALA 156.A N ASP 152.A O no hydrogen 2.874 N/A MET 157.A N THR 153.A O no hydrogen 2.572 N/A ALA 158.A N ALA 154.A O no hydrogen 2.988 N/A PHE 159.A N LYS 155.A O no hydrogen 3.344 N/A TYR 160.A N ALA 156.A O no hydrogen 3.025 N/A TYR 160.A OH ASP 107.A OD2 no hydrogen 2.906 N/A THR 161.A N MET 157.A O no hydrogen 2.933 N/A THR 161.A OG1 MET 157.A O no hydrogen 2.794 N/A GLU 162.A N ALA 158.A O no hydrogen 2.924 N/A VAL 163.A N PHE 159.A O no hydrogen 3.008 N/A LEU 164.A N PHE 159.A O no hydrogen 3.134 N/A GLY 165.A N THR 161.A O no hydrogen 3.022 N/A PHE 166.A N TYR 160.A O no hydrogen 2.914 N/A VAL 167.A N HIS 188.A O no hydrogen 2.832 N/A SER 169.A N PHE 186.A O no hydrogen 2.587 N/A SER 169.A OG HIS 188.A ND1 no hydrogen 2.704 N/A SER 169.A OG HIS 193.A O no hydrogen 2.606 N/A ASP 170.A N PHE 186.A O no hydrogen 3.396 N/A ILE 171.A N ALA 275.A O no hydrogen 3.163 N/A ILE 172.A N ALA 184.A O no hydrogen 3.038 N/A ASP 173.A N HIS 277.A O no hydrogen 2.913 N/A ILE 174.A N VAL 182.A O no hydrogen 2.820 N/A GLN 175.A NE2 GLY 177.A O no hydrogen 2.834 N/A MET 176.A N THR 180.A O no hydrogen 2.486 N/A GLY 177.A N THR 180.A O no hydrogen 2.903 N/A VAL 182.A N ILE 174.A O no hydrogen 2.778 N/A ALA 184.A N ILE 172.A O no hydrogen 2.848 N/A HIS 185.A N LEU 198.A O no hydrogen 2.763 N/A HIS 185.A ND1 PRO 183.A O no hydrogen 2.982 N/A PHE 186.A N ASP 170.A O no hydrogen 2.906 N/A LEU 187.A N ILE 196.A O no hydrogen 3.029 N/A HIS 188.A N VAL 167.A O no hydrogen 2.752 N/A HIS 188.A ND1 SER 169.A OG no hydrogen 2.704 N/A ASN 190.A ND2 GLU 3.A O no hydrogen 2.797 N/A ARG 192.A N ASN 190.A OD1 no hydrogen 2.878 N/A ARG 192.A NE GLN 141.A O no hydrogen 2.863 N/A ARG 192.A NH1 VAL 137.A O no hydrogen 2.822 N/A ARG 192.A NH1 GLN 141.A O no hydrogen 3.283 N/A ARG 192.A NH1 GLY 142.A O no hydrogen 2.850 N/A HIS 193.A ND1 HIS 194.A ND1 no hydrogen 2.857 N/A HIS 193.A NE2 ASP 170.A OD2 no hydrogen 2.590 N/A HIS 194.A ND1 HIS 193.A ND1 no hydrogen 2.857 N/A THR 195.A N LEU 187.A O no hydrogen 2.862 N/A ILE 196.A N LEU 187.A O no hydrogen 3.438 N/A ALA 197.A N PHE 146.A O no hydrogen 2.968 N/A LEU 198.A N HIS 185.A O no hydrogen 2.847 N/A ALA 199.A N ARG 148.A O no hydrogen 3.121 N/A PHE 201.A N ALA 199.A O no hydrogen 2.954 N/A LYS 205.A NZ LEU 56.A O no hydrogen 3.260 N/A LYS 205.A NZ ASP 57.A O no hydrogen 2.919 N/A ARG 206.A N ASP 58.A OD1 no hydrogen 2.905 N/A ARG 206.A N ASP 58.A OD2 no hydrogen 3.256 N/A ARG 206.A NH1 LEU 59.A O no hydrogen 2.884 N/A HIS 208.A N VAL 147.A O no hydrogen 2.893 N/A HIS 208.A ND1 HIS 209.A ND1 no hydrogen 2.700 N/A HIS 209.A ND1 HIS 208.A ND1 no hydrogen 2.700 N/A HIS 209.A NE2 GLU 260.A OE2 no hydrogen 2.933 N/A PHE 210.A N GLU 258.A O no hydrogen 3.306 N/A MET 211.A N ALA 145.A O no hydrogen 2.702 N/A LEU 212.A N GLU 260.A O no hydrogen 3.081 N/A ALA 214.A N GLY 262.A O no hydrogen 2.838 N/A ASN 215.A N GLY 135.A O no hydrogen 2.947 N/A THR 216.A N ASP 219.A OD1 no hydrogen 3.026 N/A ASP 219.A N THR 216.A OG1 no hydrogen 2.944 N/A VAL 220.A N THR 216.A O no hydrogen 3.347 N/A GLY 221.A N ILE 217.A O no hydrogen 2.888 N/A TYR 222.A N ASP 218.A O no hydrogen 2.845 N/A ALA 223.A N ASP 219.A O no hydrogen 3.116 N/A PHE 224.A N VAL 220.A O no hydrogen 3.114 N/A ASP 225.A N GLY 221.A O no hydrogen 3.446 N/A ARG 226.A N TYR 222.A O no hydrogen 2.996 N/A ARG 226.A NE SER 25.A O no hydrogen 2.670 N/A ARG 226.A NH1 SER 25.A O no hydrogen 2.958 N/A ARG 226.A NH2 PRO 132.A O no hydrogen 3.126 N/A LEU 227.A N ALA 223.A O no hydrogen 2.799 N/A ASP 228.A N PHE 224.A O no hydrogen 2.792 N/A ALA 229.A N ASP 225.A O no hydrogen 2.979 N/A ALA 230.A N ARG 226.A O no hydrogen 3.333 N/A GLY 231.A N ASP 228.A O no hydrogen 2.820 N/A ARG 232.A N LEU 227.A O no hydrogen 2.812 N/A THR 234.A N TYR 249.A O no hydrogen 3.068 N/A THR 234.A OG1 GLU 258.A OE2 no hydrogen 2.652 N/A SER 235.A OG LEU 236.A O no hydrogen 2.856 N/A LEU 236.A N LYS 286.A O no hydrogen 2.998 N/A GLY 238.A N SER 247.A O no hydrogen 2.786 N/A ARG 239.A N TRP 283.A O no hydrogen 2.957 N/A ARG 239.A NE GLN 244.A O no hydrogen 2.889 N/A ARG 239.A NH1 GLN 244.A O no hydrogen 3.522 N/A ARG 239.A NH1 GLY 264.A O no hydrogen 3.050 N/A HIS 240.A N THR 245.A O no hydrogen 3.030 N/A HIS 240.A ND1 THR 280.A O no hydrogen 2.797 N/A HIS 240.A NE2 GLU 260.A OE1 no hydrogen 2.717 N/A THR 241.A N THR 280.A O no hydrogen 3.140 N/A THR 241.A OG1 ARG 279.A O no hydrogen 2.863 N/A ASN 242.A ND2 ASP 170.A OD1 no hydrogen 2.885 N/A ASP 243.A N ASN 242.A OD1 no hydrogen 2.861 N/A GLN 244.A N HIS 240.A O no hydrogen 3.258 N/A THR 245.A N ASP 243.A OD2 no hydrogen 2.661 N/A THR 245.A OG1 ASP 243.A OD1 no hydrogen 2.850 N/A LEU 246.A N TRP 263.A O no hydrogen 2.784 N/A SER 247.A N GLY 238.A O no hydrogen 2.716 N/A SER 247.A OG GLU 260.A OE1 no hydrogen 2.858 N/A SER 247.A OG HIS 285.A NE2 no hydrogen 3.020 N/A PHE 248.A N PHE 261.A O no hydrogen 3.306 N/A TYR 249.A N SER 235.A OG no hydrogen 3.089 N/A TYR 249.A OH HIS 240.A NE2 no hydrogen 2.901 N/A ALA 250.A N VAL 259.A O no hydrogen 2.894 N/A ASP 251.A N ARG 232.A O no hydrogen 2.836 N/A THR 252.A N ILE 257.A O no hydrogen 2.952 N/A THR 252.A OG1 SER 254.A O no hydrogen 3.084 N/A THR 252.A OG1 ILE 257.A O no hydrogen 2.811 N/A SER 254.A N THR 252.A OG1 no hydrogen 3.099 N/A SER 254.A OG ASP 57.A OD1 no hydrogen 2.621 N/A ILE 257.A N SER 254.A O no hydrogen 2.998 N/A GLU 258.A N HIS 208.A O no hydrogen 3.149 N/A VAL 259.A N ALA 250.A O no hydrogen 2.702 N/A GLU 260.A N PHE 210.A O no hydrogen 2.886 N/A PHE 261.A N PHE 248.A O no hydrogen 3.121 N/A GLY 262.A N LEU 212.A O no hydrogen 3.091 N/A TRP 263.A N LEU 246.A O no hydrogen 2.725 N/A ARG 266.A N ASP 243.A O no hydrogen 2.771 N/A VAL 268.A N GLY 191.A O no hydrogen 2.913 N/A SER 271.A N ASP 269.A OD1 no hydrogen 2.648 N/A SER 271.A OG ASP 269.A OD1 no hydrogen 2.352 N/A SER 271.A OG ASP 269.A OD2 no hydrogen 3.443 N/A TRP 272.A N ASP 269.A O no hydrogen 3.186 N/A ARG 276.A NE ASP 173.A OD1 no hydrogen 2.796 N/A ARG 276.A NH2 ASP 173.A OD1 no hydrogen 3.461 N/A ARG 276.A NH2 ASP 173.A OD2 no hydrogen 2.755 N/A HIS 277.A N ILE 171.A O no hydrogen 2.946 N/A ARG 279.A NH1 SER 278.A O no hydrogen 3.014 N/A MET 282.A N ARG 239.A O no hydrogen 2.638 N/A TRP 283.A N ARG 239.A O no hydrogen 3.362 N/A HIS 285.A N LEU 237.A O no hydrogen 2.823 N/A HIS 285.A NE2 SER 247.A OG no hydrogen 3.020 N/A VAL 288.A N THR 234.A O no hydrogen 2.917 N/A