Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ksq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 6.A N SER 4.A OG no hydrogen 3.336 N/A SER 7.A N SER 4.A O no hydrogen 3.135 N/A SER 7.A OG THR 9.A OG1 no hydrogen 3.287 N/A THR 9.A N SER 7.A OG no hydrogen 3.308 N/A THR 9.A OG1 SER 7.A OG no hydrogen 3.287 N/A TYR 10.A N SER 7.A O no hydrogen 3.148 N/A TYR 13.A N ASP 45.A OD2 no hydrogen 2.732 N/A TYR 13.A OH ASP 69.A OD2 no hydrogen 2.502 N/A ARG 14.A N ASP 45.A OD1 no hydrogen 3.084 N/A ARG 14.A NH2 GLU 41.A OE2 no hydrogen 2.795 N/A ASP 15.A N LEU 12.A O no hydrogen 2.919 N/A ARG 16.A N TYR 13.A O no hydrogen 3.072 N/A ARG 16.A NE VAL 11.A O no hydrogen 2.831 N/A ARG 16.A NH2 VAL 11.A O no hydrogen 2.757 N/A GLU 18.A N GLU 18.A OE2 no hydrogen 2.683 N/A TRP 19.A N ARG 16.A O no hydrogen 3.375 N/A ALA 20.A N ALA 17.A O no hydrogen 3.068 N/A ILE 22.A N TRP 19.A O no hydrogen 3.219 N/A VAL 25.A N ASP 48.A O no hydrogen 2.789 N/A GLN 27.A NE2 ASP 29.A OD2 no hydrogen 3.569 N/A GLN 27.A NE2 TYR 39.A OH no hydrogen 2.883 N/A LYS 42.A NZ LEU 5.A O no hydrogen 2.550 N/A PHE 43.A N SER 40.A OG no hydrogen 3.367 N/A ARG 44.A N SER 40.A O no hydrogen 3.085 N/A ARG 44.A NH1 GLU 41.A OE1 no hydrogen 2.794 N/A ARG 44.A NH2 TYR 39.A O no hydrogen 3.298 N/A ASP 45.A N GLU 41.A O no hydrogen 2.988 N/A VAL 46.A N LYS 42.A O no hydrogen 3.171 N/A TYR 47.A N PHE 43.A O no hydrogen 2.982 N/A TYR 47.A OH ALA 70.A O no hydrogen 2.535 N/A ASP 48.A N ARG 44.A O no hydrogen 2.868 N/A TYR 49.A N ASP 45.A O no hydrogen 3.260 N/A PHE 50.A N VAL 46.A O no hydrogen 2.818 N/A ARG 51.A N TYR 47.A O no hydrogen 3.023 N/A ARG 51.A NH1 VAL 25.A O no hydrogen 2.849 N/A ARG 51.A NH1 ASP 48.A OD1 no hydrogen 3.287 N/A ALA 52.A N ASP 48.A O no hydrogen 3.325 N/A VAL 53.A N TYR 49.A O no hydrogen 3.079 N/A LEU 54.A N PHE 50.A O no hydrogen 2.887 N/A GLN 55.A N ARG 51.A O no hydrogen 2.915 N/A ARG 56.A N ALA 52.A O no hydrogen 3.176 N/A ASP 57.A N LEU 54.A O no hydrogen 2.902 N/A GLU 58.A N VAL 53.A O no hydrogen 2.828 N/A ARG 59.A NE ASP 57.A OD1 no hydrogen 3.067 N/A ARG 59.A NE ASP 57.A OD2 no hydrogen 3.338 N/A ARG 59.A NH1 SER 90.A OG no hydrogen 3.255 N/A ARG 59.A NH2 ASP 57.A OD2 no hydrogen 2.960 N/A SER 60.A OG GLU 58.A OE1 no hydrogen 2.416 N/A ARG 62.A NE GLU 58.A OE1 no hydrogen 2.750 N/A ARG 62.A NH1 ASP 21.A OD1 no hydrogen 2.801 N/A ARG 62.A NH1 GLU 58.A OE1 no hydrogen 3.560 N/A ARG 62.A NH1 GLU 58.A OE2 no hydrogen 3.020 N/A ARG 62.A NH2 GLU 18.A O no hydrogen 2.704 N/A ARG 62.A NH2 ASP 21.A OD1 no hydrogen 3.460 N/A ARG 62.A NH2 ASP 21.A OD2 no hydrogen 2.770 N/A ALA 63.A N SER 60.A OG no hydrogen 3.186 N/A PHE 64.A N SER 60.A O no hydrogen 3.002 N/A LYS 65.A N GLU 61.A O no hydrogen 3.096 N/A LYS 65.A NZ GLU 61.A OE1 no hydrogen 3.044 N/A LEU 66.A N ARG 62.A O no hydrogen 3.001 N/A THR 67.A N ALA 63.A O no hydrogen 3.080 N/A THR 67.A OG1 PHE 64.A O no hydrogen 2.644 N/A ARG 68.A N LYS 65.A O no hydrogen 3.145 N/A ALA 70.A N LEU 66.A O no hydrogen 2.940 N/A ILE 71.A N THR 67.A O no hydrogen 2.816 N/A GLU 72.A N ARG 68.A O no hydrogen 2.919 N/A LEU 73.A N ASP 69.A O no hydrogen 2.999 N/A ASN 74.A N ALA 70.A O no hydrogen 3.060 N/A ALA 76.A N ASN 74.A OD1 no hydrogen 3.193 N/A ASN 77.A N ASN 74.A O no hydrogen 3.035 N/A VAL 80.A N ASN 77.A OD1 no hydrogen 3.307 N/A TRP 81.A N ASN 77.A O no hydrogen 3.249 N/A TRP 81.A NE1 ALA 75.A O no hydrogen 2.698 N/A HIS 82.A N TYR 78.A O no hydrogen 2.963 N/A PHE 83.A N THR 79.A O no hydrogen 3.157 N/A ARG 84.A N VAL 80.A O no hydrogen 2.867 N/A ARG 84.A NE GLU 98.A OE2 no hydrogen 2.726 N/A ARG 84.A NH1 THR 67.A OG1 no hydrogen 2.937 N/A ARG 84.A NH2 GLU 98.A OE1 no hydrogen 2.742 N/A ARG 84.A NH2 GLU 98.A OE2 no hydrogen 3.486 N/A ARG 85.A N TRP 81.A O no hydrogen 3.073 N/A ARG 85.A NH1 HIS 118.A ND1 no hydrogen 3.041 N/A VAL 86.A N HIS 82.A O no hydrogen 2.964 N/A LEU 87.A N PHE 83.A O no hydrogen 2.902 N/A LEU 88.A N ARG 84.A O no hydrogen 2.888 N/A ARG 89.A N ARG 85.A O no hydrogen 3.371 N/A SER 90.A N VAL 86.A O no hydrogen 2.919 N/A SER 90.A OG VAL 86.A O no hydrogen 3.181 N/A LEU 91.A N LEU 87.A O no hydrogen 2.872 N/A GLN 92.A N ARG 89.A O no hydrogen 3.148 N/A LYS 93.A N LEU 88.A O no hydrogen 3.001 N/A LYS 93.A NZ GLU 61.A OE2 no hydrogen 2.796 N/A GLN 96.A N ASP 94.A OD1 no hydrogen 2.847 N/A GLN 96.A NE2 GLN 131.A OE1 no hydrogen 2.907 N/A GLU 97.A N ASP 94.A OD1 no hydrogen 3.141 N/A GLU 98.A N ASP 94.A O no hydrogen 3.242 N/A MET 99.A N LEU 95.A O no hydrogen 2.886 N/A ASN 100.A N GLN 96.A O no hydrogen 3.063 N/A ASN 100.A ND2 GLU 97.A OE1 no hydrogen 3.373 N/A TYR 101.A N GLU 97.A O no hydrogen 3.055 N/A ILE 102.A N GLU 98.A O no hydrogen 2.907 N/A THR 103.A N MET 99.A O no hydrogen 2.962 N/A THR 103.A OG1 MET 99.A O no hydrogen 2.700 N/A ALA 104.A N ASN 100.A O no hydrogen 3.234 N/A ILE 105.A N TYR 101.A O no hydrogen 3.013 N/A ILE 106.A N ILE 102.A O no hydrogen 2.887 N/A GLU 107.A N THR 103.A O no hydrogen 3.029 N/A GLU 108.A N ALA 104.A O no hydrogen 3.226 N/A GLN 109.A N ILE 105.A O no hydrogen 2.981 N/A LYS 111.A NZ ASP 143.A OD2 no hydrogen 2.824 N/A ASN 112.A N GLN 109.A O no hydrogen 3.329 N/A ASN 112.A ND2 GLN 114.A OE1 no hydrogen 2.973 N/A VAL 115.A N ASN 112.A OD1 no hydrogen 2.738 N/A TRP 116.A NE1 PRO 110.A O no hydrogen 2.758 N/A HIS 117.A N TYR 113.A O no hydrogen 3.150 N/A HIS 118.A N GLN 114.A O no hydrogen 2.953 N/A HIS 118.A NE2 GLU 98.A OE2 no hydrogen 2.769 N/A ARG 119.A N VAL 115.A O no hydrogen 3.077 N/A ARG 119.A NE GLU 132.A OE1 no hydrogen 2.648 N/A ARG 119.A NE GLU 132.A OE2 no hydrogen 3.320 N/A ARG 119.A NH1 THR 103.A OG1 no hydrogen 2.935 N/A ARG 119.A NH2 GLU 132.A OE2 no hydrogen 2.828 N/A ARG 120.A N TRP 116.A O no hydrogen 3.000 N/A ARG 120.A NE GLU 124.A OE1 no hydrogen 3.271 N/A VAL 121.A N HIS 117.A O no hydrogen 2.987 N/A LEU 122.A N HIS 118.A O no hydrogen 2.988 N/A VAL 123.A N ARG 119.A O no hydrogen 2.912 N/A GLU 124.A N ARG 120.A O no hydrogen 2.901 N/A TRP 125.A N VAL 121.A O no hydrogen 2.870 N/A LEU 126.A N LEU 122.A O no hydrogen 2.937 N/A LYS 127.A N GLU 124.A O no hydrogen 3.152 N/A ASP 128.A N VAL 123.A O no hydrogen 3.347 N/A SER 130.A N ASP 128.A OD1 no hydrogen 3.093 N/A SER 130.A OG ASP 128.A OD1 no hydrogen 2.690 N/A SER 130.A OG ASP 128.A OD2 no hydrogen 3.444 N/A GLN 131.A NE2 GLN 96.A OE1 no hydrogen 3.455 N/A GLU 132.A N PRO 129.A O no hydrogen 3.157 N/A PHE 135.A N GLN 131.A O no hydrogen 2.976 N/A ILE 136.A N GLU 132.A O no hydrogen 2.891 N/A ALA 137.A N LEU 133.A O no hydrogen 3.031 N/A ASP 138.A N GLU 134.A O no hydrogen 3.168 N/A ILE 139.A N PHE 135.A O no hydrogen 3.105 N/A LEU 140.A N ILE 136.A O no hydrogen 2.768 N/A ASN 141.A N ALA 137.A O no hydrogen 2.922 N/A GLN 142.A N ILE 139.A O no hydrogen 2.996 N/A GLN 142.A NE2 GLU 107.A OE1 no hydrogen 2.875 N/A GLN 142.A NE2 ASP 138.A O no hydrogen 2.955 N/A ASP 143.A N ILE 139.A O no hydrogen 3.086 N/A LYS 145.A N ASP 143.A OD1 no hydrogen 3.156 N/A ASN 146.A N ASP 143.A O no hydrogen 3.260 N/A ASN 146.A ND2 PRO 110.A O no hydrogen 2.903 N/A ALA 149.A N ASN 146.A OD1 no hydrogen 2.918 N/A TRP 150.A N ASN 146.A O no hydrogen 3.107 N/A TRP 150.A NE1 ALA 144.A O no hydrogen 2.802 N/A GLN 151.A N TYR 147.A O no hydrogen 2.929 N/A HIS 152.A N HIS 148.A O no hydrogen 2.855 N/A HIS 152.A NE2 GLU 132.A OE1 no hydrogen 2.694 N/A ARG 153.A N ALA 149.A O no hydrogen 2.930 N/A ARG 153.A NE GLU 166.A OE1 no hydrogen 3.070 N/A ARG 153.A NE GLU 166.A OE2 no hydrogen 2.725 N/A ARG 153.A NH1 LEU 133.A O no hydrogen 3.004 N/A ARG 153.A NH2 GLU 166.A OE1 no hydrogen 2.827 N/A GLN 154.A N TRP 150.A O no hydrogen 2.954 N/A GLN 154.A NE2 GLN 186.A OE1 no hydrogen 2.974 N/A TRP 155.A N GLN 151.A O no hydrogen 3.003 N/A VAL 156.A N HIS 152.A O no hydrogen 2.889 N/A ILE 157.A N ARG 153.A O no hydrogen 3.003 N/A GLN 158.A N GLN 154.A O no hydrogen 2.989 N/A GLU 159.A N TRP 155.A O no hydrogen 2.859 N/A PHE 160.A N VAL 156.A O no hydrogen 3.000 N/A LEU 162.A N ILE 157.A O no hydrogen 2.993 N/A GLU 166.A N TRP 163.A O no hydrogen 3.175 N/A TYR 169.A N ASN 165.A O no hydrogen 3.146 N/A VAL 170.A N GLU 166.A O no hydrogen 2.917 N/A ASP 171.A N LEU 167.A O no hydrogen 2.930 N/A GLN 172.A N GLN 168.A O no hydrogen 3.093 N/A GLN 172.A NE2 GLU 176.A OE2 no hydrogen 3.395 N/A LEU 173.A N TYR 169.A O no hydrogen 3.025 N/A LEU 174.A N VAL 170.A O no hydrogen 2.943 N/A LYS 175.A N ASP 171.A O no hydrogen 3.196 N/A GLU 176.A N GLN 172.A O no hydrogen 3.269 N/A ASP 177.A N LEU 173.A O no hydrogen 3.009 N/A ARG 179.A N ASP 177.A OD1 no hydrogen 3.016 N/A ASN 180.A N ASP 177.A O no hydrogen 3.072 N/A ASN 180.A ND2 ALA 144.A O no hydrogen 3.009 N/A SER 182.A N ASN 180.A OD1 no hydrogen 3.037 N/A VAL 183.A N ASN 180.A O no hydrogen 3.143 N/A TRP 184.A N ASN 180.A O no hydrogen 3.364 N/A TRP 184.A NE1 VAL 178.A O no hydrogen 2.647 N/A ASN 185.A N ASN 181.A O no hydrogen 2.939 N/A GLN 186.A N SER 182.A O no hydrogen 3.003 N/A GLN 186.A NE2 GLU 166.A OE2 no hydrogen 2.783 N/A ARG 187.A N VAL 183.A O no hydrogen 3.007 N/A ARG 187.A NE GLU 206.A OE1 no hydrogen 2.690 N/A ARG 187.A NH1 ASP 171.A OD1 no hydrogen 2.883 N/A ARG 187.A NH2 ASP 171.A OD1 no hydrogen 3.491 N/A ARG 187.A NH2 GLU 206.A OE2 no hydrogen 3.208 N/A HIS 188.A N TRP 184.A O no hydrogen 3.225 N/A PHE 189.A N ASN 185.A O no hydrogen 2.948 N/A VAL 190.A N GLN 186.A O no hydrogen 2.909 N/A ILE 191.A N ARG 187.A O no hydrogen 3.058 N/A SER 192.A N HIS 188.A O no hydrogen 2.856 N/A SER 192.A OG HIS 188.A O no hydrogen 2.736 N/A SER 192.A OG PHE 189.A O no hydrogen 3.506 N/A ASN 193.A N PHE 189.A O no hydrogen 3.298 N/A ASN 193.A ND2 PHE 189.A O no hydrogen 2.736 N/A THR 194.A N ILE 191.A O no hydrogen 3.139 N/A THR 194.A OG1 VAL 190.A O no hydrogen 2.714 N/A THR 194.A OG1 ILE 191.A O no hydrogen 3.436 N/A THR 195.A OG1 GLY 196.A O no hydrogen 2.978 N/A GLY 196.A N ILE 191.A O no hydrogen 2.774 N/A TYR 197.A OH TYR 226.A OH no hydrogen 2.688 N/A VAL 202.A N ASP 199.A OD1 no hydrogen 3.133 N/A LEU 203.A N ASP 199.A O no hydrogen 2.938 N/A GLU 204.A N ARG 200.A O no hydrogen 2.933 N/A ARG 205.A N ALA 201.A O no hydrogen 2.991 N/A ARG 205.A NE GLU 206.A OE2 no hydrogen 3.022 N/A ARG 205.A NH2 GLU 206.A OE2 no hydrogen 2.773 N/A GLU 206.A N VAL 202.A O no hydrogen 2.904 N/A VAL 207.A N LEU 203.A O no hydrogen 2.900 N/A GLN 208.A N GLU 204.A O no hydrogen 2.949 N/A TYR 209.A N ARG 205.A O no hydrogen 2.914 N/A THR 210.A N GLU 206.A O no hydrogen 2.882 N/A THR 210.A OG1 GLU 206.A O no hydrogen 2.713 N/A LEU 211.A N VAL 207.A O no hydrogen 2.819 N/A GLU 212.A N GLN 208.A O no hydrogen 2.930 N/A MET 213.A N TYR 209.A O no hydrogen 3.032 N/A ILE 214.A N THR 210.A O no hydrogen 2.884 N/A LYS 215.A N LEU 211.A O no hydrogen 3.000 N/A LYS 215.A NZ GLU 212.A OE1 no hydrogen 2.945 N/A LYS 215.A NZ GLU 212.A OE2 no hydrogen 3.208 N/A LEU 216.A N GLU 212.A O no hydrogen 3.152 N/A VAL 217.A N MET 213.A O no hydrogen 3.012 N/A ASN 220.A N VAL 217.A O no hydrogen 3.025 N/A ASN 220.A ND2 VAL 178.A O no hydrogen 2.859 N/A SER 222.A N ASN 220.A OD1 no hydrogen 3.132 N/A SER 222.A OG ASN 181.A OD1 no hydrogen 2.995 N/A TRP 224.A NE1 PRO 218.A O no hydrogen 2.869 N/A ASN 225.A N GLU 221.A O no hydrogen 2.893 N/A ASN 225.A ND2 GLU 221.A OE1 no hydrogen 3.232 N/A TYR 226.A N SER 222.A O no hydrogen 2.930 N/A TYR 226.A OH TYR 197.A OH no hydrogen 2.688 N/A TYR 226.A OH GLU 206.A OE1 no hydrogen 2.535 N/A LEU 227.A N ALA 223.A O no hydrogen 2.912 N/A LYS 228.A N TRP 224.A O no hydrogen 3.064 N/A LYS 228.A NZ ASN 225.A OD1 no hydrogen 3.448 N/A GLY 229.A N ASN 225.A O no hydrogen 2.866 N/A ILE 230.A N TYR 226.A O no hydrogen 3.013 N/A LEU 231.A N LYS 228.A O no hydrogen 3.205 N/A GLN 232.A N LYS 228.A O no hydrogen 2.779 N/A GLY 235.A N LEU 231.A O no hydrogen 3.244 N/A SER 237.A N ASP 268.A OD2 no hydrogen 2.869 N/A SER 237.A OG ASP 268.A OD2 no hydrogen 2.928 N/A ARG 238.A N GLY 235.A O no hydrogen 3.140 N/A TYR 239.A N LEU 236.A O no hydrogen 3.165 N/A LEU 242.A N TYR 239.A O no hydrogen 3.358 N/A GLN 245.A N ASN 241.A O no hydrogen 2.968 N/A LEU 246.A N LEU 242.A O no hydrogen 2.928 N/A LEU 246.A N LEU 243.A O no hydrogen 3.264 N/A LEU 247.A N LEU 243.A O no hydrogen 2.851 N/A ASP 248.A N ASN 244.A O no hydrogen 3.038 N/A LEU 249.A N LEU 246.A O no hydrogen 2.922 N/A TYR 257.A N SER 255.A OG no hydrogen 3.219 N/A LEU 258.A N SER 255.A OG no hydrogen 3.135 N/A ILE 259.A N SER 255.A O no hydrogen 3.397 N/A ALA 260.A N PRO 256.A O no hydrogen 2.980 N/A PHE 261.A N TYR 257.A O no hydrogen 2.960 N/A LEU 262.A N LEU 258.A O no hydrogen 3.010 N/A VAL 263.A N ILE 259.A O no hydrogen 3.139 N/A ASP 264.A N ALA 260.A O no hydrogen 3.058 N/A ILE 265.A N PHE 261.A O no hydrogen 2.875 N/A TYR 266.A N LEU 262.A O no hydrogen 2.953 N/A GLU 267.A N VAL 263.A O no hydrogen 2.840 N/A ASP 268.A N ASP 264.A O no hydrogen 3.201 N/A MET 269.A N ILE 265.A O no hydrogen 3.011 N/A LEU 270.A N TYR 266.A O no hydrogen 2.985 N/A GLU 271.A N GLU 267.A O no hydrogen 3.131 N/A GLU 271.A N ASP 268.A O no hydrogen 3.168 N/A ASN 272.A N MET 269.A O no hydrogen 3.117 N/A ASN 272.A ND2 ASP 268.A O no hydrogen 2.767 N/A CYS 274.A SG ASP 275.A O no hydrogen 3.784 N/A LYS 277.A NZ LEU 270.A O no hydrogen 3.302 N/A ILE 280.A N ASN 276.A O no hydrogen 3.014 N/A LEU 281.A N LYS 277.A O no hydrogen 3.089 N/A ASN 282.A N GLU 278.A O no hydrogen 3.228 N/A LYS 283.A N ASP 279.A O no hydrogen 3.027 N/A ALA 284.A N ILE 280.A O no hydrogen 2.863 N/A LEU 285.A N LEU 281.A O no hydrogen 2.809 N/A GLU 286.A N ASN 282.A O no hydrogen 3.007 N/A LEU 287.A N LYS 283.A O no hydrogen 3.145 N/A CYS 288.A N ALA 284.A O no hydrogen 2.932 N/A CYS 288.A SG ALA 284.A O no hydrogen 3.457 N/A GLU 289.A N LEU 285.A O no hydrogen 3.138 N/A ILE 290.A N GLU 286.A O no hydrogen 2.978 N/A LEU 291.A N LEU 287.A O no hydrogen 2.885 N/A ALA 292.A N CYS 288.A O no hydrogen 2.902 N/A LYS 293.A N GLU 289.A O no hydrogen 2.913 N/A LYS 293.A NZ GLU 289.A OE2 no hydrogen 2.924 N/A GLU 294.A N ILE 290.A O no hydrogen 2.769 N/A LYS 295.A N ILE 290.A O no hydrogen 2.928 N/A ASP 296.A N LEU 291.A O no hydrogen 2.755 N/A ARG 299.A N ASP 296.A O no hydrogen 3.018 N/A ARG 299.A NE ASP 296.A OD1 no hydrogen 3.265 N/A ARG 299.A NE ASP 296.A OD2 no hydrogen 2.790 N/A ARG 299.A NH2 ASP 296.A OD1 no hydrogen 2.826 N/A LYS 300.A N THR 297.A O no hydrogen 3.016 N/A TRP 303.A N ARG 299.A O no hydrogen 2.924 N/A TRP 303.A NE1 ASP 296.A OD2 no hydrogen 2.800 N/A ARG 304.A N LYS 300.A O no hydrogen 2.921 N/A TYR 305.A N GLU 301.A O no hydrogen 3.031 N/A ILE 306.A N TYR 302.A O no hydrogen 2.925 N/A GLY 307.A N TRP 303.A O no hydrogen 3.042 N/A ARG 308.A N ARG 304.A O no hydrogen 3.031 N/A SER 309.A N TYR 305.A O no hydrogen 2.930 N/A LEU 310.A N ILE 306.A O no hydrogen 2.909 N/A GLN 311.A N GLY 307.A O no hydrogen 3.138 N/A SER 312.A N ARG 308.A O no hydrogen 2.861 N/A LYS 313.A N SER 309.A O no hydrogen 3.046 N/A HIS 314.A N LEU 310.A O no hydrogen 2.789 N/A SER 315.A N GLN 311.A O no hydrogen 2.980 N/A SER 315.A OG GLN 311.A O no hydrogen 3.105 N/A