Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1k8k_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ILE 338.A O no hydrogen 3.324 N/A TYR 2.A OH ASP 333.A OD2 no hydrogen 2.509 N/A HIS 3.A N MET 336.A O no hydrogen 2.875 N/A SER 4.A OG LEU 6.A O no hydrogen 3.180 N/A PHE 5.A N GLY 334.A O no hydrogen 3.018 N/A LEU 6.A N GLY 334.A O no hydrogen 3.306 N/A ILE 10.A N GLY 331.A O no hydrogen 3.095 N/A SER 11.A N CYS 25.A O no hydrogen 2.920 N/A CYS 12.A SG VAL 54.A O no hydrogen 3.953 N/A HIS 13.A ND1 THR 330.A OG1 no hydrogen 2.617 N/A HIS 13.A NE2 SER 315.A OG no hydrogen 2.811 N/A ALA 14.A N ALA 23.A O no hydrogen 3.137 N/A ASN 16.A N GLN 21.A O no hydrogen 3.109 N/A LYS 17.A NZ ASP 62.A OD1 no hydrogen 3.147 N/A ARG 19.A N ASN 16.A O no hydrogen 3.114 N/A ARG 19.A NE LEU 317.A O no hydrogen 2.908 N/A ARG 19.A NH1 ASN 16.A O no hydrogen 2.822 N/A THR 20.A N ASN 16.A OD1 no hydrogen 2.864 N/A GLN 21.A N ASN 16.A OD1 no hydrogen 2.999 N/A GLN 21.A NE2 GLU 35.A OE2 no hydrogen 3.061 N/A ILE 22.A N TYR 34.A O no hydrogen 2.937 N/A ALA 23.A N ALA 14.A O no hydrogen 2.824 N/A ILE 24.A N HIS 32.A O no hydrogen 2.812 N/A CYS 25.A N CYS 12.A O no hydrogen 3.256 N/A CYS 25.A SG ASN 28.A O no hydrogen 3.132 N/A CYS 25.A SG GLU 30.A O no hydrogen 3.420 N/A CYS 25.A SG VAL 54.A O no hydrogen 3.578 N/A ASN 27.A ND2 GLU 8.A OE2 no hydrogen 3.249 N/A GLU 30.A N ASN 28.A OD1 no hydrogen 2.901 N/A VAL 31.A N LEU 47.A O no hydrogen 3.073 N/A HIS 32.A N ILE 24.A O no hydrogen 2.655 N/A ILE 33.A N HIS 45.A O no hydrogen 2.865 N/A TYR 34.A N ILE 22.A O no hydrogen 2.849 N/A GLU 35.A N VAL 42.A O no hydrogen 3.022 N/A SER 37.A N LYS 40.A O no hydrogen 2.722 N/A LYS 40.A N SER 37.A O no hydrogen 3.000 N/A VAL 42.A N GLU 35.A O no hydrogen 2.812 N/A GLN 43.A NE2 GLU 46.A OE1 no hydrogen 2.837 N/A VAL 44.A N ILE 33.A O no hydrogen 2.770 N/A HIS 45.A N ILE 33.A O no hydrogen 3.437 N/A LEU 47.A N VAL 31.A O no hydrogen 2.762 N/A LYS 48.A NZ GLU 46.A OE2 no hydrogen 2.685 N/A HIS 50.A ND1 ASP 72.A OD1 no hydrogen 3.082 N/A HIS 50.A ND1 ASP 72.A OD2 no hydrogen 3.113 N/A HIS 50.A NE2 THR 68.A OG1 no hydrogen 2.856 N/A ASN 51.A N ASP 72.A OD2 no hydrogen 2.803 N/A VAL 54.A N ASN 28.A O no hydrogen 3.169 N/A THR 55.A N CYS 69.A O no hydrogen 2.997 N/A THR 55.A OG1 ALA 98.A O no hydrogen 2.899 N/A ASP 58.A N VAL 67.A O no hydrogen 3.045 N/A TRP 59.A N ASP 58.A OD1 no hydrogen 2.800 N/A ALA 60.A N ARG 65.A O no hydrogen 2.795 N/A ASP 62.A N GLU 107.A OE2 no hydrogen 3.147 N/A SER 63.A N GLU 107.A OE1 no hydrogen 2.919 N/A SER 63.A OG GLU 107.A OE1 no hydrogen 2.845 N/A ARG 65.A NE SER 63.A OG no hydrogen 2.862 N/A ARG 65.A NH2 GLU 107.A O no hydrogen 2.669 N/A ILE 66.A N TRP 78.A O no hydrogen 3.169 N/A VAL 67.A N ASP 58.A O no hydrogen 2.896 N/A THR 68.A N TYR 76.A O no hydrogen 2.896 N/A THR 68.A OG1 HIS 50.A NE2 no hydrogen 2.856 N/A CYS 69.A N GLY 56.A O no hydrogen 3.159 N/A GLY 70.A N ASN 74.A O no hydrogen 3.114 N/A THR 71.A N GLN 53.A O no hydrogen 2.897 N/A ARG 73.A N GLY 70.A O no hydrogen 3.065 N/A ARG 73.A NH2 ILE 94.A O no hydrogen 3.547 N/A ASN 74.A N ASP 72.A OD1 no hydrogen 3.078 N/A TYR 76.A N THR 68.A O no hydrogen 2.913 N/A VAL 77.A N THR 88.A O no hydrogen 3.088 N/A TRP 78.A N ILE 66.A O no hydrogen 2.596 N/A TRP 78.A NE1 THR 68.A OG1 no hydrogen 2.878 N/A THR 79.A N LYS 86.A O no hydrogen 2.879 N/A LYS 81.A N THR 84.A O no hydrogen 2.839 N/A THR 84.A N LYS 81.A O no hydrogen 3.137 N/A THR 84.A OG1 LYS 81.A O no hydrogen 3.240 N/A LYS 86.A N THR 79.A O no hydrogen 2.862 N/A THR 88.A N VAL 77.A O no hydrogen 2.880 N/A VAL 90.A N ALA 75.A O no hydrogen 2.983 N/A ARG 93.A NH2 CYS 133.A O no hydrogen 2.823 N/A ASN 95.A N SER 116.A OG no hydrogen 3.048 N/A ARG 96.A NH1 ASN 95.A O no hydrogen 2.677 N/A ALA 98.A N GLY 70.A O no hydrogen 3.062 N/A ARG 99.A N GLY 113.A O no hydrogen 2.781 N/A ARG 99.A NH1 ARG 99.A O no hydrogen 2.973 N/A CYS 100.A N GLY 113.A O no hydrogen 3.274 N/A CYS 100.A SG VAL 144.A O no hydrogen 3.686 N/A ARG 102.A N ALA 111.A O no hydrogen 3.016 N/A ARG 102.A NH1 VAL 101.A O no hydrogen 2.937 N/A TRP 103.A N ASP 58.A OD2 no hydrogen 2.836 N/A ALA 104.A N LYS 109.A O no hydrogen 2.938 N/A ASN 106.A N SER 153.A OG no hydrogen 3.125 N/A GLU 107.A N ALA 104.A O no hydrogen 2.994 N/A LYS 108.A NZ VAL 175.A O no hydrogen 2.758 N/A LYS 109.A NZ SER 153.A O no hydrogen 2.882 N/A LYS 109.A NZ ALA 170.A O no hydrogen 2.905 N/A LYS 109.A NZ GLU 176.A OE1 no hydrogen 2.621 N/A LYS 109.A NZ GLU 176.A OE2 no hydrogen 3.135 N/A PHE 110.A N CYS 122.A O no hydrogen 3.023 N/A ALA 111.A N ARG 102.A O no hydrogen 2.956 N/A VAL 112.A N SER 120.A O no hydrogen 2.910 N/A GLY 113.A N CYS 100.A O no hydrogen 2.852 N/A SER 114.A N VAL 118.A O no hydrogen 3.177 N/A SER 114.A OG VAL 118.A O no hydrogen 3.066 N/A GLY 115.A N ALA 97.A O no hydrogen 2.924 N/A SER 116.A N SER 114.A OG no hydrogen 3.036 N/A SER 116.A OG ASN 95.A OD1 no hydrogen 2.996 N/A ARG 117.A N SER 114.A O no hydrogen 3.283 N/A ARG 117.A NE ARG 141.A O no hydrogen 3.296 N/A ILE 119.A N ILE 136.A O no hydrogen 2.964 N/A SER 120.A N VAL 112.A O no hydrogen 2.937 N/A SER 120.A OG LEU 92.A O no hydrogen 3.197 N/A ILE 121.A N LYS 134.A O no hydrogen 2.717 N/A CYS 122.A N PHE 110.A O no hydrogen 2.759 N/A CYS 122.A SG SER 120.A O no hydrogen 3.930 N/A TYR 123.A N VAL 132.A O no hydrogen 2.937 N/A GLU 125.A N TRP 130.A O no hydrogen 3.114 N/A ASN 128.A ND2 GLU 125.A OE2 no hydrogen 3.519 N/A ASP 129.A N GLU 125.A O no hydrogen 2.964 N/A VAL 132.A N TYR 123.A O no hydrogen 2.865 N/A CYS 133.A SG ILE 91.A O no hydrogen 3.810 N/A CYS 133.A SG LEU 92.A O no hydrogen 3.448 N/A LYS 134.A N ILE 121.A O no hydrogen 2.944 N/A HIS 135.A NE2 LEU 92.A O no hydrogen 2.849 N/A ILE 136.A N ILE 119.A O no hydrogen 2.776 N/A LYS 137.A NZ ARG 117.A O no hydrogen 2.849 N/A ILE 140.A N LYS 137.A O no hydrogen 2.778 N/A ARG 141.A N ASP 162.A OD2 no hydrogen 3.068 N/A THR 143.A N SER 142.A OG no hydrogen 2.845 N/A VAL 144.A N SER 114.A O no hydrogen 3.134 N/A LEU 145.A N GLY 159.A O no hydrogen 2.883 N/A SER 146.A N GLY 159.A O no hydrogen 3.283 N/A SER 146.A OG VAL 204.A O no hydrogen 3.419 N/A ASP 148.A N ALA 157.A O no hydrogen 3.046 N/A TRP 149.A NE1 ARG 102.A O no hydrogen 2.918 N/A HIS 150.A N LEU 155.A O no hydrogen 3.048 N/A ASN 152.A N HIS 150.A ND1 no hydrogen 2.850 N/A SER 153.A N HIS 150.A O no hydrogen 3.060 N/A VAL 154.A N ASN 152.A OD1 no hydrogen 2.482 N/A LEU 155.A N ASN 152.A OD1 no hydrogen 2.981 N/A LEU 156.A N PHE 168.A O no hydrogen 2.752 N/A ALA 157.A N ASP 148.A O no hydrogen 2.787 N/A ALA 158.A N ARG 166.A O no hydrogen 2.776 N/A GLY 159.A N SER 146.A O no hydrogen 2.933 N/A SER 160.A N LYS 164.A O no hydrogen 3.116 N/A SER 160.A OG ASP 162.A OD1 no hydrogen 2.435 N/A SER 160.A OG LYS 164.A O no hydrogen 3.480 N/A CYS 161.A N THR 143.A O no hydrogen 2.950 N/A CYS 161.A SG THR 143.A O no hydrogen 3.976 N/A PHE 163.A N SER 160.A O no hydrogen 3.198 N/A LYS 164.A N ASP 162.A OD1 no hydrogen 3.451 N/A LYS 164.A NZ SER 197.A O no hydrogen 2.941 N/A LYS 164.A NZ SER 199.A O no hydrogen 3.073 N/A CYS 165.A N SER 197.A OG no hydrogen 2.939 N/A ARG 166.A N ALA 158.A O no hydrogen 2.757 N/A ARG 166.A NE GLU 196.A OE2 no hydrogen 2.992 N/A ARG 166.A NH1 ASP 162.A OD1 no hydrogen 3.358 N/A ARG 166.A NH1 ASP 162.A OD2 no hydrogen 2.849 N/A ARG 166.A NH2 ASP 162.A OD2 no hydrogen 2.944 N/A ARG 166.A NH2 GLU 196.A OE2 no hydrogen 3.380 N/A ILE 167.A N PHE 195.A O no hydrogen 2.935 N/A PHE 168.A N LEU 156.A O no hydrogen 2.919 N/A SER 169.A N GLU 192.A O no hydrogen 2.933 N/A SER 169.A OG MET 188.A O no hydrogen 2.704 N/A SER 169.A OG PRO 189.A O no hydrogen 3.339 N/A ALA 170.A N VAL 154.A O no hydrogen 2.811 N/A TYR 171.A N SER 169.A OG no hydrogen 3.011 N/A ILE 172.A N GLU 176.A OE1 no hydrogen 2.725 N/A VAL 175.A N ILE 172.A O no hydrogen 3.202 N/A GLU 176.A N ILE 172.A O no hydrogen 3.319 N/A THR 182.A N GLY 185.A O no hydrogen 3.455 N/A TRP 184.A NE1 GLY 213.A O no hydrogen 2.634 N/A GLY 185.A N THR 182.A O no hydrogen 2.906 N/A GLY 191.A N SER 169.A O no hydrogen 2.896 N/A GLU 192.A N PRO 189.A O no hydrogen 3.009 N/A MET 194.A N ILE 167.A O no hydrogen 2.733 N/A PHE 195.A N ILE 167.A O no hydrogen 3.350 N/A SER 197.A N CYS 165.A O no hydrogen 3.056 N/A SER 197.A OG CYS 165.A O no hydrogen 3.496 N/A SER 199.A OG CYS 201.A O no hydrogen 3.542 N/A SER 200.A OG SER 200.A O no hydrogen 2.302 N/A CYS 201.A N SER 199.A OG no hydrogen 3.229 N/A VAL 204.A N SER 160.A O no hydrogen 3.336 N/A HIS 205.A N VAL 219.A O no hydrogen 3.161 N/A HIS 205.A NE2 HIS 221.A ND1 no hydrogen 2.915 N/A CYS 208.A N ALA 217.A O no hydrogen 2.936 N/A CYS 208.A SG ASP 148.A OD2 no hydrogen 3.727 N/A CYS 208.A SG PHE 209.A O no hydrogen 3.539 N/A PHE 209.A N ASP 148.A OD2 no hydrogen 2.785 N/A SER 210.A N ARG 215.A O no hydrogen 2.897 N/A SER 210.A OG ASN 212.A OD1 no hydrogen 3.162 N/A SER 210.A OG ARG 215.A O no hydrogen 3.383 N/A SER 210.A OG GLU 254.A OE1 no hydrogen 3.151 N/A ASN 212.A N GLU 254.A OE2 no hydrogen 2.684 N/A GLY 213.A N SER 210.A O no hydrogen 3.176 N/A GLY 213.A N SER 210.A OG no hydrogen 3.187 N/A SER 214.A N ASN 212.A OD1 no hydrogen 2.934 N/A SER 214.A OG ASN 212.A OD1 no hydrogen 2.842 N/A SER 214.A OG ASP 231.A OD2 no hydrogen 3.244 N/A ARG 215.A N SER 210.A OG no hydrogen 3.150 N/A ARG 215.A NH1 GLU 254.A O no hydrogen 2.652 N/A ARG 215.A NH1 SER 255.A OG no hydrogen 3.000 N/A VAL 216.A N ALA 228.A O no hydrogen 3.182 N/A ALA 217.A N CYS 208.A O no hydrogen 2.888 N/A TRP 218.A N CYS 226.A O no hydrogen 2.931 N/A VAL 219.A N GLY 206.A O no hydrogen 3.079 N/A SER 220.A N THR 224.A O no hydrogen 3.167 N/A HIS 221.A N TRP 203.A O no hydrogen 2.803 N/A HIS 221.A ND1 HIS 205.A NE2 no hydrogen 2.915 N/A SER 223.A N SER 220.A O no hydrogen 3.238 N/A SER 223.A OG THR 243.A O no hydrogen 2.709 N/A THR 224.A OG1 ASP 222.A OD1 no hydrogen 2.532 N/A THR 224.A OG1 ASP 222.A OD2 no hydrogen 3.556 N/A VAL 225.A N LEU 239.A O no hydrogen 2.988 N/A CYS 226.A N TRP 218.A O no hydrogen 2.839 N/A CYS 226.A SG THR 238.A OG1 no hydrogen 3.574 N/A LEU 227.A N ALA 237.A O no hydrogen 2.979 N/A ALA 228.A N VAL 216.A O no hydrogen 2.765 N/A ASP 229.A N ALA 235.A O no hydrogen 2.898 N/A ALA 230.A N SER 214.A O no hydrogen 3.014 N/A LYS 232.A N ASP 229.A O no hydrogen 2.825 N/A LYS 232.A NZ SER 273.A O no hydrogen 2.944 N/A ALA 235.A N LYS 232.A O no hydrogen 2.882 N/A ALA 237.A N LEU 227.A O no hydrogen 2.896 N/A LEU 239.A N VAL 225.A O no hydrogen 2.937 N/A SER 241.A N SER 223.A O no hydrogen 2.802 N/A THR 243.A N SER 241.A OG no hydrogen 2.962 N/A THR 243.A OG1 SER 241.A OG no hydrogen 3.031 N/A THR 243.A OG1 ASP 263.A OD2 no hydrogen 2.705 N/A LEU 244.A N ASP 263.A OD1 no hydrogen 3.078 N/A LEU 247.A N ALA 260.A O no hydrogen 2.764 N/A ALA 248.A N ALA 260.A O no hydrogen 3.037 N/A THR 250.A N VAL 258.A O no hydrogen 2.895 N/A THR 250.A OG1 PHE 251.A O no hydrogen 3.056 N/A ILE 252.A N SER 256.A O no hydrogen 2.818 N/A THR 253.A N SER 256.A O no hydrogen 3.412 N/A SER 255.A N THR 253.A OG1 no hydrogen 3.032 N/A SER 256.A N THR 253.A O no hydrogen 3.357 N/A LEU 257.A N PHE 269.A O no hydrogen 2.820 N/A VAL 258.A N THR 250.A O no hydrogen 2.806 N/A ALA 259.A N VAL 267.A O no hydrogen 3.061 N/A ALA 260.A N ALA 248.A O no hydrogen 3.064 N/A HIS 262.A N PRO 245.A O no hydrogen 2.894 N/A HIS 262.A ND1 SER 310.A OG no hydrogen 2.659 N/A CYS 264.A N GLY 261.A O no hydrogen 3.012 N/A CYS 264.A SG HIS 262.A O no hydrogen 3.706 N/A VAL 267.A N ALA 259.A O no hydrogen 2.800 N/A PHE 269.A N LEU 257.A O no hydrogen 2.879 N/A THR 270.A N SER 279.A O no hydrogen 2.965 N/A TYR 271.A N SER 255.A O no hydrogen 2.742 N/A ASP 272.A N LYS 277.A O no hydrogen 2.891 N/A ALA 275.A N ASP 272.A OD1 no hydrogen 3.412 N/A GLY 276.A N SER 273.A O no hydrogen 3.150 N/A LYS 277.A N ASP 272.A O no hydrogen 3.081 N/A SER 279.A N THR 270.A O no hydrogen 2.827 N/A GLY 281.A N LEU 268.A O no hydrogen 3.070 N/A ARG 283.A NH2 ASP 304.A OD1 no hydrogen 3.187 N/A LEU 284.A N PRO 266.A O no hydrogen 2.905 N/A ARG 292.A NE THR 288.A O no hydrogen 2.756 N/A PHE 293.A N ALA 289.A O no hydrogen 2.982 N/A GLN 294.A N ARG 290.A O no hydrogen 2.704 N/A ASN 295.A N GLU 291.A O no hydrogen 2.818 N/A LEU 296.A N PHE 293.A O no hydrogen 3.314 N/A ALA 300.A N LYS 298.A O no hydrogen 2.963 N/A SER 305.A OG HIS 307.A O no hydrogen 2.838 N/A LEU 306.A N ASP 285.A OD2 no hydrogen 2.806 N/A HIS 307.A ND1 ASP 333.A OD1 no hydrogen 3.058 N/A HIS 307.A NE2 THR 329.A OG1 no hydrogen 2.912 N/A LYS 308.A N ASP 333.A OD2 no hydrogen 2.944 N/A LYS 308.A NZ LEU 306.A O no hydrogen 3.165 N/A SER 310.A N ASN 309.A OD1 no hydrogen 2.780 N/A SER 310.A OG HIS 262.A ND1 no hydrogen 2.659 N/A VAL 311.A N GLY 261.A O no hydrogen 3.012 N/A SER 312.A N THR 330.A O no hydrogen 3.017 N/A GLN 313.A N THR 330.A O no hydrogen 3.310 N/A SER 315.A N CYS 328.A O no hydrogen 2.893 N/A SER 315.A OG HIS 13.A NE2 no hydrogen 2.811 N/A LEU 317.A N GLN 326.A O no hydrogen 2.858 N/A SER 318.A N GLN 326.A O no hydrogen 3.306 N/A SER 318.A OG SER 325.A OG no hydrogen 2.426 N/A LYS 321.A NZ PHE 209.A O no hydrogen 2.717 N/A LYS 323.A N GLY 319.A O no hydrogen 3.231 N/A CYS 324.A N ILE 252.A O no hydrogen 2.973 N/A CYS 324.A SG SER 318.A O no hydrogen 3.851 N/A CYS 324.A SG GLN 326.A O no hydrogen 3.221 N/A SER 325.A N SER 318.A O no hydrogen 2.802 N/A SER 325.A OG SER 318.A O no hydrogen 3.210 N/A SER 325.A OG SER 318.A OG no hydrogen 2.426 N/A GLN 326.A N SER 318.A O no hydrogen 3.469 N/A GLN 326.A NE2 ASP 340.A OD2 no hydrogen 3.411 N/A PHE 327.A N TRP 339.A O no hydrogen 3.006 N/A CYS 328.A N SER 315.A O no hydrogen 2.741 N/A CYS 328.A SG HIS 13.A NE2 no hydrogen 3.559 N/A CYS 328.A SG SER 337.A O no hydrogen 3.840 N/A THR 329.A N SER 337.A O no hydrogen 2.880 N/A THR 329.A OG1 HIS 307.A NE2 no hydrogen 2.912 N/A THR 330.A N GLN 313.A O no hydrogen 3.075 N/A THR 330.A OG1 HIS 13.A ND1 no hydrogen 2.617 N/A GLY 331.A N GLY 335.A O no hydrogen 3.291 N/A MET 332.A N SER 310.A O no hydrogen 2.884 N/A GLY 334.A N GLY 331.A O no hydrogen 3.122 N/A GLY 335.A N ASP 333.A OD1 no hydrogen 3.087 N/A MET 336.A N HIS 3.A O no hydrogen 2.847 N/A SER 337.A N THR 329.A O no hydrogen 2.798 N/A SER 337.A OG HIS 307.A NE2 no hydrogen 3.048 N/A ILE 338.A N ALA 1.A O no hydrogen 3.053 N/A TRP 339.A N PHE 327.A O no hydrogen 2.806 N/A TRP 339.A NE1 THR 329.A OG1 no hydrogen 2.827 N/A VAL 341.A N SER 325.A O no hydrogen 2.801 N/A SER 343.A N ASP 340.A OD1 no hydrogen 2.953 N/A SER 343.A OG ASP 340.A OD1 no hydrogen 2.949 N/A LEU 344.A N ASP 340.A O no hydrogen 3.039 N/A GLU 345.A N VAL 341.A O no hydrogen 3.027 N/A SER 346.A N ARG 342.A O no hydrogen 2.973 N/A SER 346.A OG ARG 342.A O no hydrogen 3.046 N/A ALA 347.A N SER 343.A O no hydrogen 2.972 N/A LEU 348.A N LEU 344.A O no hydrogen 3.051 N/A LYS 349.A NZ ASP 350.A OD2 no hydrogen 2.518 N/A LEU 351.A N LEU 348.A O no hydrogen 2.745 N/A VAL 354.A N SER 256.A OG no hydrogen 2.559 N/A