Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kaj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 16.A N TYR 26.A O no hydrogen 3.089 N/A HIS 16.A ND1 ASP 14.A O no hydrogen 3.059 N/A VAL 20.A N GLU 23.A O no hydrogen 2.683 N/A GLU 23.A N VAL 20.A O no hydrogen 2.928 N/A ARG 24.A N ASP 74.A OD2 no hydrogen 2.927 N/A HIS 25.A ND1 ASP 67.A OD2 no hydrogen 2.825 N/A TYR 26.A N HIS 16.A O no hydrogen 2.880 N/A VAL 27.A N ALA 65.A O no hydrogen 2.928 N/A VAL 29.A N CYS 63.A O no hydrogen 3.122 N/A ARG 32.A NE GLY 30.A O no hydrogen 3.230 N/A ARG 32.A NH1 ASP 28.A OD1 no hydrogen 2.811 N/A ARG 32.A NH1 GLY 30.A O no hydrogen 2.850 N/A ARG 32.A NH2 ASP 28.A OD1 no hydrogen 3.186 N/A ARG 32.A NH2 ASP 28.A OD2 no hydrogen 3.042 N/A THR 35.A OG1 GLU 99.A OE2 no hydrogen 3.152 N/A VAL 37.A N ARG 62.A O no hydrogen 2.814 N/A LEU 38.A N VAL 101.A O no hydrogen 2.787 N/A PHE 39.A N ILE 64.A O no hydrogen 2.807 N/A LEU 40.A N VAL 103.A O no hydrogen 2.904 N/A HIS 41.A ND1 GLY 42.A O no hydrogen 2.896 N/A ASN 43.A N ASP 106.A OD2 no hydrogen 2.925 N/A ASN 43.A ND2 LEU 199.A O no hydrogen 3.474 N/A THR 45.A N GLY 42.A O no hydrogen 3.074 N/A THR 45.A OG1 GLY 42.A O no hydrogen 3.183 N/A SER 47.A N ASP 67.A OD1 no hydrogen 2.788 N/A SER 47.A OG ASP 67.A OD1 no hydrogen 2.729 N/A TYR 48.A N SER 46.A OG no hydrogen 3.078 N/A TYR 48.A OH THR 9.A O no hydrogen 2.589 N/A VAL 49.A N SER 46.A O no hydrogen 2.901 N/A TRP 50.A N SER 47.A O no hydrogen 2.864 N/A ARG 51.A N TYR 48.A O no hydrogen 3.181 N/A ARG 51.A NE GLY 8.A O no hydrogen 2.879 N/A ARG 51.A NH1 TYR 48.A O no hydrogen 2.981 N/A ARG 51.A NH1 GLU 272.A OE1 no hydrogen 3.431 N/A ARG 51.A NH1 GLU 272.A OE2 no hydrogen 2.727 N/A ARG 51.A NH2 GLY 8.A O no hydrogen 3.244 N/A ARG 51.A NH2 GLU 272.A OE1 no hydrogen 2.896 N/A ARG 51.A NH2 GLU 272.A OE2 no hydrogen 3.441 N/A ASN 52.A ND2 GLY 8.A O no hydrogen 2.941 N/A ILE 53.A N TRP 50.A O no hydrogen 2.971 N/A ILE 54.A N TRP 50.A O no hydrogen 2.983 N/A HIS 56.A N ILE 53.A O no hydrogen 3.035 N/A HIS 56.A NE2 ASP 276.A OD1 no hydrogen 2.841 N/A VAL 57.A N ILE 54.A O no hydrogen 2.915 N/A ALA 58.A N ILE 54.A O no hydrogen 2.908 N/A THR 60.A N VAL 57.A O no hydrogen 3.086 N/A THR 60.A OG1 VAL 57.A O no hydrogen 3.245 N/A THR 60.A OG1 HIS 61.A ND1 no hydrogen 2.843 N/A HIS 61.A N VAL 57.A O no hydrogen 3.001 N/A HIS 61.A ND1 THR 60.A OG1 no hydrogen 2.843 N/A ARG 62.A NE ASP 28.A OD1 no hydrogen 2.959 N/A ARG 62.A NH2 ASP 28.A OD2 no hydrogen 2.812 N/A CYS 63.A N VAL 29.A O no hydrogen 2.859 N/A CYS 63.A SG ILE 54.A O no hydrogen 4.044 N/A CYS 63.A SG HIS 61.A O no hydrogen 3.525 N/A ILE 64.A N VAL 37.A O no hydrogen 2.884 N/A ALA 65.A N VAL 27.A O no hydrogen 3.058 N/A ASP 67.A N HIS 25.A O no hydrogen 2.890 N/A LEU 68.A N HIS 41.A NE2 no hydrogen 3.015 N/A GLY 70.A N ASP 74.A O no hydrogen 2.856 N/A LYS 72.A N ASP 67.A OD2 no hydrogen 2.833 N/A SER 73.A OG ASP 67.A O no hydrogen 2.655 N/A ASP 74.A N ARG 24.A O no hydrogen 2.705 N/A LYS 75.A NZ GLY 71.A O no hydrogen 2.911 N/A LYS 75.A NZ SER 73.A O no hydrogen 3.106 N/A LEU 78.A N PRO 76.A O no hydrogen 2.898 N/A TYR 80.A OH PRO 76.A O no hydrogen 2.635 N/A PHE 81.A N ASP 84.A OD2 no hydrogen 3.164 N/A PHE 82.A N GLU 205.A OE2 no hydrogen 2.768 N/A ASP 84.A N PHE 81.A O no hydrogen 2.920 N/A HIS 85.A N PHE 81.A O no hydrogen 3.289 N/A VAL 86.A N PHE 82.A O no hydrogen 2.877 N/A ARG 87.A N ASP 83.A O no hydrogen 3.067 N/A PHE 88.A N ASP 84.A O no hydrogen 2.977 N/A ALA 90.A N ARG 87.A O no hydrogen 3.169 N/A PHE 91.A N PHE 88.A O no hydrogen 2.785 N/A GLU 93.A N ASP 89.A O no hydrogen 3.066 N/A ALA 94.A N ALA 90.A O no hydrogen 2.765 N/A LEU 95.A N PHE 91.A O no hydrogen 3.060 N/A GLY 96.A N GLU 93.A O no hydrogen 2.879 N/A LEU 97.A N ILE 92.A O no hydrogen 3.225 N/A GLU 99.A N GLU 99.A OE1 no hydrogen 2.668 N/A VAL 100.A N ARG 122.A O no hydrogen 2.850 N/A VAL 101.A N PRO 36.A O no hydrogen 3.011 N/A LEU 102.A N GLY 125.A O no hydrogen 2.946 N/A VAL 103.A N LEU 38.A O no hydrogen 2.926 N/A ILE 104.A N ALA 127.A O no hydrogen 2.874 N/A HIS 105.A NE2 ASN 268.A O no hydrogen 2.793 N/A ASP 106.A N GLU 129.A O no hydrogen 2.976 N/A SER 109.A N HIS 105.A O no hydrogen 3.308 N/A SER 109.A N ASP 106.A O no hydrogen 2.800 N/A SER 109.A OG ASP 106.A O no hydrogen 2.476 N/A LEU 111.A N TRP 107.A O no hydrogen 3.206 N/A GLY 112.A N GLY 108.A O no hydrogen 2.847 N/A PHE 113.A N SER 109.A O no hydrogen 2.799 N/A HIS 114.A N ALA 110.A O no hydrogen 2.963 N/A TRP 115.A N LEU 111.A O no hydrogen 2.947 N/A ALA 116.A N GLY 112.A O no hydrogen 2.842 N/A LYS 117.A N PHE 113.A O no hydrogen 2.880 N/A ARG 118.A N HIS 114.A O no hydrogen 3.378 N/A ARG 118.A NE HIS 114.A O no hydrogen 2.940 N/A ARG 118.A NH1 ASP 89.A OD2 no hydrogen 2.917 N/A ARG 118.A NH2 ASP 89.A OD1 no hydrogen 2.954 N/A ARG 118.A NH2 ASP 89.A OD2 no hydrogen 3.510 N/A ASN 119.A N ALA 116.A O no hydrogen 3.036 N/A ASN 119.A ND2 TRP 115.A O no hydrogen 2.949 N/A ARG 122.A N ASN 119.A O no hydrogen 3.104 N/A ARG 122.A NE GLU 98.A O no hydrogen 2.871 N/A ARG 122.A NH1 GLU 93.A OE2 no hydrogen 3.128 N/A ARG 122.A NH1 ASN 119.A OD1 no hydrogen 3.364 N/A ARG 122.A NH2 GLU 93.A OE2 no hydrogen 3.007 N/A ARG 122.A NH2 LEU 97.A O no hydrogen 2.731 N/A LYS 124.A N VAL 100.A O no hydrogen 2.870 N/A LYS 124.A NZ GLU 121.A O no hydrogen 3.385 N/A ILE 126.A N PRO 231.A O no hydrogen 2.921 N/A ALA 127.A N LEU 102.A O no hydrogen 2.761 N/A PHE 128.A N LEU 233.A O no hydrogen 2.845 N/A ILE 131.A N SER 109.A OG no hydrogen 3.054 N/A ILE 134.A N PRO 207.A O no hydrogen 2.838 N/A THR 136.A N GLU 139.A OE1 no hydrogen 3.033 N/A THR 136.A OG1 GLU 139.A OE1 no hydrogen 2.248 N/A GLU 139.A N THR 136.A O no hydrogen 2.944 N/A TRP 140.A N TRP 137.A O no hydrogen 2.977 N/A ALA 144.A N PRO 141.A O no hydrogen 2.923 N/A ARG 145.A N GLU 142.A O no hydrogen 3.271 N/A ARG 145.A NE TRP 140.A O no hydrogen 2.899 N/A ARG 145.A NH2 TRP 140.A O no hydrogen 3.227 N/A PHE 148.A N ALA 144.A O no hydrogen 2.990 N/A GLN 149.A N ARG 145.A O no hydrogen 2.921 N/A ALA 150.A N GLU 146.A O no hydrogen 3.031 N/A PHE 151.A N THR 147.A O no hydrogen 2.872 N/A ARG 152.A N PHE 148.A O no hydrogen 3.023 N/A ARG 152.A N GLN 149.A O no hydrogen 3.265 N/A ARG 152.A NH1 LEU 206.A O no hydrogen 3.549 N/A ARG 152.A NH1 GLU 211.A O no hydrogen 2.907 N/A ARG 152.A NH2 PRO 203.A O no hydrogen 2.869 N/A ARG 152.A NH2 LEU 206.A O no hydrogen 2.921 N/A THR 153.A OG1 ALA 150.A O no hydrogen 2.613 N/A GLY 157.A N THR 153.A OG1 no hydrogen 2.838 N/A ARG 158.A N THR 154.A O no hydrogen 3.089 N/A ARG 158.A NH1 GLU 197.A OE1 no hydrogen 3.525 N/A ARG 158.A NH1 GLU 197.A OE2 no hydrogen 2.815 N/A ARG 158.A NH2 GLU 197.A OE1 no hydrogen 2.851 N/A LYS 159.A N ASP 155.A O no hydrogen 3.135 N/A LYS 159.A NZ VAL 156.A O no hydrogen 3.291 N/A LEU 160.A N VAL 156.A O no hydrogen 2.963 N/A ILE 161.A N GLY 157.A O no hydrogen 2.948 N/A ILE 162.A N ARG 158.A O no hydrogen 2.774 N/A ASP 163.A N ARG 158.A O no hydrogen 3.110 N/A GLN 164.A N LYS 159.A O no hydrogen 2.974 N/A VAL 166.A N LEU 160.A O no hydrogen 2.938 N/A GLU 169.A N ASN 165.A O no hydrogen 2.925 N/A GLY 170.A N VAL 166.A O no hydrogen 2.627 N/A THR 171.A N VAL 166.A O no hydrogen 2.970 N/A LEU 172.A N PHE 167.A O no hydrogen 2.847 N/A VAL 175.A N PRO 173.A O no hydrogen 3.255 N/A VAL 176.A N ASP 273.A OD2 no hydrogen 2.855 N/A ARG 177.A N ASP 273.A OD1 no hydrogen 2.983 N/A ARG 177.A NE GLU 272.A O no hydrogen 2.587 N/A ARG 177.A NH1 GLU 183.A OE1 no hydrogen 2.909 N/A ARG 177.A NH1 GLU 183.A OE2 no hydrogen 3.284 N/A ARG 177.A NH2 GLU 183.A OE1 no hydrogen 3.563 N/A ARG 177.A NH2 GLU 183.A OE2 no hydrogen 2.748 N/A ARG 177.A NH2 GLU 272.A O no hydrogen 3.394 N/A THR 180.A N GLU 183.A OE1 no hydrogen 2.709 N/A THR 180.A OG1 GLU 183.A OE1 no hydrogen 3.366 N/A GLU 183.A N THR 180.A OG1 no hydrogen 3.137 N/A HIS 185.A N VAL 182.A O no hydrogen 3.099 N/A TYR 186.A N GLU 183.A O no hydrogen 3.071 N/A TYR 186.A OH GLU 272.A OE2 no hydrogen 2.530 N/A ARG 187.A NE GLU 169.A OE1 no hydrogen 3.437 N/A ARG 187.A NE GLU 169.A OE2 no hydrogen 2.739 N/A ARG 187.A NH1 GLU 181.A OE1 no hydrogen 2.907 N/A ARG 187.A NH1 ASP 184.A OD1 no hydrogen 2.999 N/A ARG 187.A NH2 GLU 169.A OE1 no hydrogen 2.876 N/A GLU 188.A N ASP 184.A O no hydrogen 3.005 N/A PHE 190.A N ARG 187.A O no hydrogen 2.848 N/A ASP 195.A N ASN 192.A O no hydrogen 2.790 N/A ARG 196.A N PRO 193.A O no hydrogen 2.983 N/A ARG 196.A NE PHE 190.A O no hydrogen 2.819 N/A ARG 196.A NH1 ILE 162.A O no hydrogen 2.830 N/A ARG 196.A NH2 PHE 190.A O no hydrogen 3.026 N/A LEU 199.A N ARG 196.A O no hydrogen 2.973 N/A TRP 200.A N GLU 197.A O no hydrogen 3.078 N/A TRP 200.A NE1 THR 153.A O no hydrogen 3.241 N/A ARG 201.A N GLU 197.A O no hydrogen 2.964 N/A PHE 202.A N PRO 198.A O no hydrogen 3.029 N/A ASN 204.A ND2 PHE 151.A O no hydrogen 3.040 N/A ASN 204.A ND2 TRP 200.A O no hydrogen 2.901 N/A GLU 205.A N PHE 202.A O no hydrogen 2.938 N/A LEU 206.A N PRO 203.A O no hydrogen 3.412 N/A ILE 208.A N GLU 211.A O no hydrogen 3.084 N/A ALA 209.A N ILE 134.A O no hydrogen 2.860 N/A GLU 211.A N ILE 208.A O no hydrogen 3.127 N/A VAL 216.A N PRO 212.A O no hydrogen 2.951 N/A ALA 217.A N ALA 213.A O no hydrogen 2.965 N/A LEU 218.A N ASN 214.A O no hydrogen 3.106 N/A VAL 219.A N ILE 215.A O no hydrogen 2.846 N/A GLU 220.A N VAL 216.A O no hydrogen 2.907 N/A GLU 221.A N ALA 217.A O no hydrogen 2.943 N/A TYR 222.A N LEU 218.A O no hydrogen 3.125 N/A TYR 222.A OH ILE 131.A O no hydrogen 2.840 N/A TRP 224.A N GLU 221.A O no hydrogen 2.978 N/A LEU 225.A N TYR 222.A O no hydrogen 2.805 N/A GLN 227.A N TRP 224.A O no hydrogen 3.061 N/A SER 228.A N LEU 225.A O no hydrogen 3.439 N/A VAL 230.A N SER 228.A OG no hydrogen 3.161 N/A LYS 232.A N ASN 257.A O no hydrogen 2.937 N/A LYS 232.A NZ SER 228.A O no hydrogen 2.726 N/A LYS 232.A NZ VAL 230.A O no hydrogen 2.649 N/A LYS 232.A NZ PRO 256.A O no hydrogen 2.753 N/A LEU 233.A N ILE 126.A O no hydrogen 2.895 N/A LEU 234.A N LYS 259.A O no hydrogen 2.719 N/A PHE 235.A N PHE 128.A O no hydrogen 3.038 N/A TRP 236.A N VAL 261.A O no hydrogen 3.059 N/A THR 238.A N GLY 264.A O no hydrogen 2.991 N/A GLY 240.A N GLY 266.A O no hydrogen 2.825 N/A VAL 241.A N GLU 129.A OE2 no hydrogen 3.002 N/A LEU 242.A N GLU 129.A OE1 no hydrogen 2.714 N/A ILE 243.A N GLU 129.A OE2 no hydrogen 2.965 N/A ALA 248.A N PRO 244.A O no hydrogen 3.121 N/A ALA 249.A N PRO 245.A O no hydrogen 3.069 N/A ARG 250.A N ALA 246.A O no hydrogen 3.276 N/A LEU 251.A N GLU 247.A O no hydrogen 3.055 N/A ALA 252.A N ALA 248.A O no hydrogen 3.003 N/A LYS 253.A N ARG 250.A O no hydrogen 3.129 N/A SER 254.A N ARG 250.A O no hydrogen 2.962 N/A SER 254.A OG HIS 226.A NE2 no hydrogen 3.079 N/A SER 254.A OG ARG 250.A O no hydrogen 3.498 N/A LEU 255.A N LEU 251.A O no hydrogen 2.913 N/A ASN 257.A ND2 PRO 229.A O no hydrogen 3.348 N/A CYS 258.A SG LYS 259.A O no hydrogen 3.917 N/A LYS 259.A N LYS 232.A O no hydrogen 2.920 N/A VAL 261.A N LEU 234.A O no hydrogen 2.757 N/A ILE 263.A N TRP 236.A O no hydrogen 2.905 N/A GLY 264.A N ASP 262.A OD1 no hydrogen 2.727 N/A GLY 266.A N THR 238.A O no hydrogen 3.064 N/A ASN 268.A N GLY 174.A O no hydrogen 2.960 N/A ASN 268.A ND2 ASP 106.A OD1 no hydrogen 3.442 N/A ASN 268.A ND2 GLU 129.A OE1 no hydrogen 3.156 N/A LEU 269.A N GLY 174.A O no hydrogen 2.830 N/A LEU 270.A N ASN 268.A O no hydrogen 2.995 N/A GLN 271.A N GLN 271.A OE1 no hydrogen 2.776 N/A GLN 271.A NE2 HIS 105.A ND1 no hydrogen 3.115 N/A GLU 272.A N LEU 269.A O no hydrogen 2.925 N/A ASP 273.A N LEU 270.A O no hydrogen 3.106 N/A ASN 274.A N LEU 270.A O no hydrogen 3.048 N/A ASN 274.A ND2 ILE 263.A O no hydrogen 3.085 N/A LEU 277.A N ASN 274.A OD1 no hydrogen 3.301 N/A ILE 278.A N ASN 274.A O no hydrogen 3.247 N/A GLY 279.A N PRO 275.A O no hydrogen 2.834 N/A SER 280.A N ASP 276.A O no hydrogen 2.884 N/A GLU 281.A N LEU 277.A O no hydrogen 2.861 N/A ILE 282.A N ILE 278.A O no hydrogen 2.988 N/A ALA 283.A N GLY 279.A O no hydrogen 2.990 N/A ARG 284.A N SER 280.A O no hydrogen 3.027 N/A ARG 284.A NE SER 280.A O no hydrogen 3.383 N/A ARG 284.A NE SER 280.A OG no hydrogen 3.026 N/A ARG 284.A NH2 SER 280.A OG no hydrogen 2.965 N/A TRP 285.A N GLU 281.A O no hydrogen 2.859 N/A LEU 286.A N ILE 282.A O no hydrogen 2.833 N/A SER 287.A N ALA 283.A O no hydrogen 3.301 N/A THR 288.A N ARG 284.A O no hydrogen 3.263 N/A THR 288.A OG1 TRP 285.A O no hydrogen 2.524 N/A LEU 289.A N TRP 285.A O no hydrogen 3.210 N/A LEU 289.A N LEU 286.A O no hydrogen 3.209 N/A GLU 290.A N SER 287.A O no hydrogen 3.175 N/A ILE 291.A N THR 288.A O no hydrogen 2.963 N/A